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CAS Registry Number

The CAS Registry Number (CAS RN) is a unique numeric identifier assigned by the Chemical Abstracts Service (CAS), a division of the American Chemical Society, to every chemical substance described in scientific publications and patents.^[1]^[2] Introduced in 1965 as part of the CAS REGISTRY database, it provides an unambiguous way to distinguish substances regardless of varying names, synonyms, or structural representations, thereby preventing errors in chemical communication.^[2] The format consists of up to 10 digits separated by hyphens into three segments—the first with 2 to 7 digits, the second with 2 digits, and the final single digit as a check digit for validation—ensuring accuracy in data handling.^[3] CAS RNs form the foundation of the CAS REGISTRY, the world's largest database of disclosed chemical substances, which includes over 204 million organic and inorganic substances (as of 2024), encompassing everything from simple molecules like water (CAS RN 7732-18-5) to complex polymers, alloys, and biomolecules.^[4] This system originated from efforts in the 1950s to manage the growing volume of chemical literature indexed by CAS, which began as Chemical Abstracts in 1907, evolving into a computerized registry to link substances across global research.^[5] Today, CAS RNs are universally adopted by scientists, regulators, industries, and databases for tasks such as patent filings, toxicological assessments, supply chain management, and compliance with international standards like REACH and TSCA.^[2] Their proprietary yet widely licensed nature supports innovation while maintaining rigorous curation by CAS experts to verify novelty and structural integrity upon registration.^[6]

Overview

Definition and Purpose

A CAS Registry Number (CASRN), often simply called a CAS number, is a unique, irreversible numeric identifier assigned by the Chemical Abstracts Service (CAS), a division of the American Chemical Society, to every chemical substance described in the scientific literature or patented inventions.^[2] This identifier ensures that each substance, whether organic, inorganic, or biological, receives a single, distinct designation regardless of how it is named or represented in various sources.^[1] CASRNs are assigned systematically upon the first encounter of a substance in processed literature, making them a cornerstone of chemical documentation worldwide.^[2] The primary purpose of the CASRN is to provide unambiguous identification of chemical substances, eliminating confusion arising from synonymous names, varying structural depictions, or differences in nomenclature across languages, databases, and regulatory frameworks.^[1] By standardizing reference to chemicals through a simple numerical code, CASRNs facilitate precise indexing, efficient retrieval of information from vast scientific repositories, and seamless integration in global databases.^[7] This system supports critical applications, including regulatory compliance for chemical safety assessments, patent filings, and supply chain management, where accurate substance identification is essential to avoid errors in handling hazardous materials or misinterpreting research data.^[6] Introduced in 1965, the CAS Registry System was developed to cope with the explosive growth in chemical literature following World War II, when the volume of published research surged beyond manual indexing capabilities.^[8]^[9] As of 2025, the CAS REGISTRY database encompasses over 290 million unique substances, with millions added annually to reflect ongoing discoveries and innovations in chemistry.^[2]

Significance in Chemical Identification

The CAS Registry Number (CASRN) serves as a standardized identifier that resolves ambiguities arising from the multiplicity of chemical names, including systematic IUPAC nomenclature, common names, trade names, and regional variations, thereby enabling precise communication across scientific, industrial, and regulatory contexts.^[2]^[10] This uniqueness facilitates seamless cross-referencing with complementary identification systems such as the International Chemical Identifier (InChI) and Simplified Molecular Input Line Entry System (SMILES), which further enhance interoperability in chemical databases and literature searches.^[2] By providing a single, authoritative reference point, CASRNs mitigate errors in substance identification that could otherwise lead to miscommunication in research and development.^[11] In practical applications, CASRNs are indispensable for ensuring accuracy and safety in various processes, including the preparation of safety data sheets (SDS), where they are explicitly required to identify hazardous ingredients under the Globally Harmonized System (GHS).^[12]^[13] They play a critical role in toxicology reporting by linking substances to reliable hazard and exposure data, in patent filings to distinctly claim novel compounds, and in supply chain management to track materials without confusion, ultimately reducing risks of errors in manufacturing and procurement.^[14]^[11] Globally, CASRNs have achieved widespread adoption, with regulatory frameworks mandating their use to promote consistency and compliance; for instance, they are integral to the European Union's REACH regulation for substance registrations, the U.S. Toxic Substances Control Act (TSCA) inventory listings, and GHS-compliant SDS worldwide.^[15]^[16]^[17] These identifiers are relied upon by scientists, industries, and government agencies across more than 190 countries, supporting international trade, environmental monitoring, and public health initiatives.^[2] A key advantage of CASRNs over alternatives like molecular formulas is their ability to differentiate isomers and stereoisomers, which share the same empirical composition but exhibit distinct properties and risks. Additionally, the assignment process is irreversible, with numbers issued sequentially and permanently retained, which avoids disruptions from nomenclature revisions and maintains historical continuity in chemical records.^[2]

History

Origins of CAS

The Chemical Abstracts Service (CAS) was founded in 1907 by the American Chemical Society (ACS) with the launch of Chemical Abstracts, a publication dedicated to indexing and abstracting chemical literature from journals worldwide.^[8] The inaugural issue, edited by William A. Noyes Sr., contained fewer than 12,000 abstracts drawn from approximately 400 journals, reflecting the society's commitment to organizing the growing body of chemical knowledge.^[5] In 1909, Chemical Abstracts was formally established as a division of the ACS, marking its institutionalization and expansion of operations, initially based in Washington, D.C., before relocating to Columbus, Ohio.^[18] This founding responded to the need for a centralized English-language resource amid the proliferation of international chemical research. By the 1940s and 1950s, the rapid growth of chemical publications posed significant challenges to CAS's manual operations. Annual chemical literature outputs exceeded 100,000 documents by the late 1950s, resulting in an overwhelming volume of abstracts—reaching about 100,000 per year across roughly 10,000 pages—that strained indexing capacity.^[19] Compounding this overload were nomenclature inconsistencies, as the same chemical substances were often indexed multiple times with varying names provided by authors or differing from prior entries, leading to duplication and retrieval difficulties.^[8] These issues underscored the limitations of relying on human indexers, who manually copied molecular structures and assigned identifiers, highlighting the urgent need for more systematic approaches to manage the exploding information landscape. To address these early hurdles, CAS developed and refined manual abstracting and indexing systems throughout the 1920s to 1950s. These involved teams of chemists and editors systematically reviewing global journals, extracting key data, and compiling annual and decennial indexes with subject, author, and formula entries.^[8] Such efforts, while labor-intensive, built a foundational framework for chemical documentation and increasingly revealed the impracticality of purely manual methods as publication volumes doubled roughly every 15 years.^[20] This recognition paved the way for mechanization, culminating in the exploration of computerized solutions to enhance accuracy and speed. In the 1950s, CAS introduced pre-registry tools such as punched-card systems to facilitate substance tracking and preliminary data organization. These mechanized aids allowed for rudimentary machine sorting of chemical records based on encoded notations, bridging manual processes and emerging digital technologies.^[21] By encoding chemical structures and names onto cards for automated retrieval, CAS began alleviating some indexing burdens, setting the stage for more advanced registry innovations while maintaining comprehensive coverage of the literature.^[21]

Development of the Registry System

The CAS Registry System was conceptualized in 1956 as a pioneering computerized database designed to automate the identification and recognition of chemical substances, addressing the growing volume of chemical literature that overwhelmed manual indexing methods.^[5] This system introduced the use of connection tables—computer-readable representations of molecular structures that capture atoms and their bonds—to enable unique and unambiguous substance identification, marking a shift from traditional name-based indexing to structure-based automation.^[22] The initiative stemmed from the need for a standardized way to handle the exponential increase in reported chemicals, allowing scientists to reference substances consistently across publications. Key innovations in the system's development were led by CAS scientists, including G. Malcolm Dyson, who was hired in 1959 to spearhead automation efforts and built on his earlier work in chemical notation systems.^[8] A breakthrough came with Harry Morgan's algorithm in the early 1960s, which generated unique two-dimensional records of chemical structures for efficient searching and matching.^[8] The first prototype, an experimental version of the Chemical Registry System, became operational in late 1964, incorporating algorithmic structure searching to process and store substance data.^[8] These advancements laid the foundation for integrating structural data directly with bibliographic records, enhancing accuracy in chemical documentation. The official rollout occurred in 1965, when the system transitioned from experimental to production use, assigning the first CAS Registry Numbers (CASRNs) to newly indexed substances and retroactively registering those from prior Chemical Abstracts volumes.^[8] This launch integrated the Registry seamlessly with Chemical Abstracts indexing, ensuring that every substance entry included a unique identifier linked to its structure, name, and literature references.^[5] Early implementation relied on contemporary computing technology, such as the IBM 7090 mainframe, to handle data storage, structure matching, and generation of registry entries.^[23] By 1970, the system had expanded to store and match over 1 million unique substances, demonstrating its scalability and critical role in managing the burgeoning field of chemical information.^[24]

Key Milestones and Growth

In the 1970s and 1980s, the CAS Registry expanded its accessibility through integration with emerging online systems, notably the launch of STN International in 1984 by CAS and FIZ Karlsruhe, which provided global access to CAS databases including the Registry.^[5]^[25] By 1990, the Registry had reached 10 million registered substances, reflecting steady growth driven by increasing chemical literature and patent disclosures. The 1990s and 2000s marked further technological advancements and rapid expansion, with the introduction of SciFinder in 1995 offering scientists an intuitive interface to search Registry data.^[5] In September 2009, the Registry surpassed 50 million substances, a milestone achieved just nine months after reaching 40 million, underscoring accelerating discovery rates.^[26] That same year, CAS launched Common Chemistry in May 2009, providing free public access to basic substance information for nearly 500,000 commonly used chemicals by 2021.^[27] The adoption of XML formats during this period facilitated standardized data exchange with external systems, enhancing interoperability.^[28] Entering the 2010s and 2020s, the Registry continued exponential growth, hitting 60 million substances in 2010, 70 million in 2012, 75 million in 2013, and 100 million in 2014 to commemorate its 50th anniversary.^[5] By 2020, it exceeded 159 million unique organic and inorganic substances, along with millions of biological sequences.^[29] This period saw expanded coverage to include biologics and polymers, with the 2024 launch of the CAS BioFinder Discovery Platform to support life sciences research.^[5]^[30] AI enhancements were integrated into related tools like SciFinder in 2025, improving substance registration and search efficiency through machine learning for data curation and analysis.^[31] As of 2025, the Registry contains over 290 million substances, having grown from approximately 200 million in recent years through ongoing curation.^[2] This expansion is fueled by annual additions of 10-20 million new substances sourced from scientific literature, patents, and regulatory filings, enabling comprehensive tracking of emerging materials like nanomaterials.^[32] Ongoing interoperability efforts, such as mapping CAS Registry Numbers to PubChem entries, support seamless data sharing across databases.^[33]

Format and Validation

Structure of the CAS Number

The CAS Registry Number (CASRN) is structured as a numeric sequence of up to 10 digits, divided by hyphens into three distinct parts without any encoded chemical significance in the segments themselves. The first part, ranging from 2 to 7 digits, represents the core identifier; the second part consists of exactly 2 digits; and the third part is a single digit serving as a check digit for validation. This format ensures uniqueness and readability, with numbers assigned sequentially upon the registration of a new substance in the CAS REGISTRY database.^[2]^[3] Originally introduced in 1965, the CASRN format began with shorter lengths, typically 6 to 7 digits during the 1960s and 1970s, reflecting the initial scale of the registry. The length of the first segment has increased over time from typically 2 to 4 digits in the early years to up to 7 digits as the database has grown, allowing the total number to reach 10 digits while using the same format, with the registry containing over 290 million substances as of 2025. This variable-length design maintains backward compatibility while supporting ongoing expansion.^[2] CASRNs follow specific conventions, including no leading zeros in the first segment and sequential assignment without regard to chemical structure or nomenclature. Distinct CASRNs are issued for salts, solvates, and mixtures, treating them as separate entities. Examples include 7732-18-5 for water, 67-56-1 for methanol, and 50-00-0 for formaldehyde, demonstrating the non-systematic, registry-order basis of the numbering.^[3]^[8]

Check Digit and Verification

The check digit, which forms the final single-digit part of a CAS Registry Number (CASRN), serves to validate the accuracy of the preceding digits and detect common transcription or typing errors, such as single-digit substitutions or transpositions. This digit is computed using a modulo-10 arithmetic algorithm that ensures the entire number's integrity without relying on the semantic meaning of the substance it identifies. By incorporating this self-checking mechanism, the CASRN format minimizes the risk of erroneous data propagation in chemical databases, literature, and regulatory filings.^[2]^[3] The algorithm for generating or verifying the check digit begins by removing the hyphens from the CASRN to obtain a sequence of digits, excluding the check digit itself. These digits are then weighted from right to left, with the rightmost digit multiplied by 1, the next by 2, the next by 3, and so on, up to the leftmost digit. The products are summed, and the result modulo 10 yields the check digit. Mathematically, for a digit sequence d_n d_{n-1} \dots d_1 (where d_1 is the rightmost before the check digit), the check digit c is given by:

c = \left( \sum_{i=1}^{n} d_i \cdot i \right) \mod 10

For instance, consider the CASRN 50-00-0 for formaldehyde. The digits preceding the check digit are 5, 0, 0, 0. Weighting from the right gives $0 \times 1 + 0 \times 2 + 0 \times 3 + 5 \times 4 = 20, and $20 \mod 10 = 0, confirming the check digit. Another example is 7732-18-5 for water: digits 7, 7, 3, 2, 1, 8 yield $8 \times 1 + 1 \times 2 + 2 \times 3 + 3 \times 4 + 7 \times 5 + 7 \times 6 = 105, and $105 \mod 10 = 5, matching the provided check digit. This method effectively catches about 90% of single-digit errors and many adjacent transpositions.^[34]^[35] Verification of a CASRN involves recalculating the check digit using the above algorithm and comparing it to the original. If the computed value matches, the number is transcriptionally valid; a discrepancy indicates an error, such as a mistyped digit or incorrect hyphen placement, which can disrupt the digit sequence despite hyphens being ignored in the calculation. CAS provides documentation and tools for this manual or automated process, allowing users to confirm authenticity before use in scientific or regulatory contexts. While the check digit does not verify whether the number corresponds to an actual registered substance, it ensures basic numerical reliability.^[3]

Scope and Granularity

Substances Covered

The CAS Registry assigns unique identifiers to a broad array of chemical entities, encompassing organic and inorganic compounds, elements, isotopes, ions, coordination compounds, and salts.^[2] These core substances are sourced from peer-reviewed scientific literature, patents, and commercial catalogs, ensuring comprehensive representation of known chemistry.^[36] Over time, the registry has expanded to include polymers to accommodate complex macromolecular structures.^[37] Biologics, such as proteins, DNA, and RNA sequences, receive CAS Registry Numbers, supporting identification in biopharmaceutical contexts through sequence data and structural details.^[38] Nanomaterials and alloys are also eligible when characterized with specific compositions or structures, broadening the registry's utility for advanced materials.^[2] Proprietary trade secrets remain excluded unless publicly disclosed in qualifying sources.^[39] Assignment of a CAS Registry Number occurs upon the first documented description of a substance in eligible sources, such as journal articles or patent disclosures.^[2] Retrospective assignments are applied to historical substances identified in older literature, maintaining completeness across time.^[40] Certain entities are ineligible for unique identifiers, including pure mixtures lacking a defined or unique composition, which are instead referenced by component substances.^[40] Theoretical or unrealized structures without experimental verification or characterization data are also excluded from registration.^[39]

Specificity and Isomers

The CAS Registry System assigns distinct Registry Numbers (RNs) to chemical substances based on their structural specificity, ensuring precise identification of variants such as stereoisomers. Each stereoisomer, including enantiomers and diastereomers, receives a unique RN to differentiate it from other forms of the same compound, while the unlabeled parent structure is assigned a single RN unless stereochemistry is explicitly specified.^[41] Tautomers are similarly treated with separate RNs when their distinct structures are reported, though interconvertible forms without specified localization may share the parent RN. Conformers, being transient structural arrangements, are generally not assigned individual RNs unless fixed by specific conditions or notations that define them as unique entities.^[42] Isotopically labeled compounds are granted unique RNs to reflect substitutions such as deuterium for hydrogen or carbon-13 for carbon-12, distinguishing them from their unlabeled counterparts for applications in spectroscopy and tracing studies. This approach allows for unambiguous tracking of isotopic variants, with each specified labeling pattern—whether specific sites or general enrichment—warranting a separate identifier.^[43] The system's handling of isotopes underscores its role in supporting research requiring isotopic precision, as seen in the registration of variants for analytical standards. For complex substances like polymers, CAS RNs typically employ generic representations based on monomeric units and overall composition, without differentiation for variations in chain length, molecular weight, or monomer ratios unless those parameters are explicitly defined as integral to the structure. Specific polymer variants with precisely characterized chain lengths or sequences may receive distinct RNs if structural uniqueness is established through detailed monomer arrangements or reaction specifics. In biologics, such as proteins or nucleic acids, RN assignment relies on sequence-based uniqueness, incorporating amino acid or nucleotide orders, post-translational modifications, and codon translations to ensure differentiation among variants like isoforms or mutants.^[40]^[38] A key limitation of the CAS Registry is that undefined mixtures—those lacking specified components, ratios, or compositions—do not receive RNs, as registration requires defined structural or compositional details for uniqueness. This policy maintains the system's integrity by excluding ambiguous entities that cannot be precisely identified.^[40]

Applications

Use in Scientific and Regulatory Contexts

In scientific literature, CAS Registry Numbers (CAS RNs) serve as essential identifiers for chemical substances, facilitating precise indexing and retrieval. Publications from the American Chemical Society (ACS), such as the Journal of Chemical & Engineering Data, require authors to include CAS RNs or equivalent structural representations for described compounds to ensure unambiguous identification.^[44] This practice, aligned with ACS style guidelines, extends to references from databases, where CAS RNs are cited alongside chemical names to support reproducibility in experimental data.^[45] In academic theses and technical reports, CAS RNs enable cross-referencing across disciplines, reducing ambiguity in citing reagents and intermediates, as recommended in comprehensive chemistry style manuals.^[43] Regulatory frameworks worldwide mandate or strongly encourage the use of CAS RNs for inventory listing and compliance, enhancing traceability of chemicals. In the United States, the Toxic Substances Control Act (TSCA) Inventory lists non-confidential substances identified by CAS RNs and CA Index Names, as maintained by the Environmental Protection Agency (EPA) under 40 CFR Part 710.^[16] The European Union's REACH regulation (EC No. 1907/2006) incorporates CAS RNs in annexes for substance registration and the Candidate List of substances of very high concern, aiding in risk assessment and authorization processes.^[46] Under the UN's Prior Informed Consent (PIC) procedure via the Rotterdam Convention, chemicals in Annex III are specified with CAS RNs to regulate international trade of hazardous substances, requiring export notifications and consents.^[47] For hazardous material transport, the UN Globally Harmonized System (GHS) requires CAS RNs in Safety Data Sheets (SDSs) and labels to identify ingredients, supporting uniform classification and communication of dangers during shipping.^[48] In industrial settings, CAS RNs underpin supplier catalogs, quality assurance, and intellectual property management by providing a standardized nomenclature. Chemical suppliers leverage CAS Commercial Sources to aggregate catalog data, linking products to CAS RNs for accurate sourcing and procurement.^[49] For quality control, the unique identifiers minimize misidentification risks in manufacturing processes, ensuring consistency in batch testing and compliance audits.^[50] In intellectual property, platforms like CAS STNext® integrate CAS RNs into patent searches, enabling precise tracking of chemical innovations and avoiding infringement.^[51] In pharmaceutical development, CAS RNs are critical for active pharmaceutical ingredient (API) tracking, as seen in regulatory submissions where they verify substance identity from synthesis to formulation.^[52] CAS RNs have played a pivotal role in case studies involving public health and commerce, demonstrating their utility in verification and risk mitigation. During the COVID-19 pandemic (2020–2023), CAS compiled ingredient lists for U.S.-approved vaccines, assigning CAS RNs to components like lipids and buffers to facilitate verification of formulations and address public concerns over transparency.^[53] For instance, mRNA vaccines from Pfizer-BioNTech and Moderna included excipients such as 2-[(polyethylene glycol (PEG))-2000]-N,N-ditetradecylacetamide (CAS 1849616-42-7), verified via CAS RNs in official disclosures.^[54] In global trade, CAS RNs reduce errors by standardizing chemical identification for customs declarations, harmonizing with Harmonized System (HS) codes to prevent misclassification, delays, and penalties in international shipments.^[10] This has streamlined compliance for exporters, minimizing documentation disputes and supporting efficient cross-border exchanges of over 290 million registered substances.^[2]

Integration with Databases and Tools

CAS Registry Numbers (CASRNs) are extensively linked to other chemical identifiers across major databases, enabling seamless interoperability in chemical information retrieval. For instance, PubChem's Identifier Exchange Service facilitates the mapping of CASRNs to PubChem Compound Identifiers (CIDs), InChIKeys, and SMILES strings, allowing users to convert between these formats for comprehensive substance data access.^[55] Similarly, ChemSpider integrates CASRNs with its unique ChemSpider IDs through web services and open-source tools like the R package webchem, which retrieves ChemSpider IDs directly from CASRN inputs to support cross-database queries.^[56] These mappings to InChIKeys, the IUPAC-standardized condensed identifiers, further enhance compatibility, as CASRNs can be resolved to InChI representations for structure-based comparisons.^[57] Integration with CAS's own SciFinder platform, introduced in the mid-1990s, has provided bidirectional access to Registry data since its inception, allowing researchers to sync substance records between the core Registry and SciFinder's search interface for real-time updates and literature linkages.^[58] This longstanding synchronization ensures that CASRNs serve as a central hub for pulling in related bibliographic and experimental data without manual reconciliation. In cheminformatics software, CASRNs are incorporated via APIs and libraries for automated processing. The RDKit toolkit, a widely used open-source cheminformatics platform, supports CASRN resolution to molecular structures through name-to-structure conversion, enabling workflows for property prediction and virtual screening when integrated with tools like KNIME for data analytics.^[59] KNIME's RDKit nodes further extend this by allowing CASRN-based filtering and transformation in pipeline workflows, streamlining batch processing of chemical datasets. Additionally, CASRNs are embedded in electronic lab notebooks (ELNs) for inventory management, where systems like Labstep use them to track reagents, automate stock alerts, and ensure regulatory compliance by linking to substance safety profiles.^[60] CASRNs adhere to IUPAC guidelines for substance identification, complementing standards like InChI while providing unique registry-based uniqueness, and CAS supports bulk data exports in structured formats such as XML and JSON via its APIs for integration into custom databases or analytical tools.^[61] These exports facilitate programmatic access to Registry records, including substance details and cross-references, for developers building compliant chemical management systems. Recent advancements in the 2020s have introduced AI-driven methods for CASRN matching, particularly for handling incomplete or ambiguous data in large-scale databases. For example, CAS SciFinder's SearchSense AI interprets queries involving partial identifiers to retrieve relevant CASRNs with high accuracy, reducing manual effort in substance resolution.^[62] By 2025, CASRNs achieve extensive coverage in global databases, with over 290 million substances in the CAS Registry mirrored across platforms like PubChem (exceeding 100 million linked compounds) and Reaxys, ensuring near-universal representation for disclosed chemicals.^[2]^[63] This broad interoperability supports regulatory requirements, such as those in hazard communication standards, by standardizing substance tracking.^[64]

Access and Search Methods

Official CAS Resources

The primary platforms for accessing and utilizing CAS Registry Numbers (CASRNs) are SciFinder-n and STN International, both provided by the Chemical Abstracts Service (CAS). SciFinder-n, a web-based discovery platform launched in 2017, enables comprehensive substance and structure searching, including by CASRN, with tools tailored for chemists and researchers.^[65] It operates on a subscription basis, typically licensed to academic, corporate, or government institutions to support broad user access within those organizations.^[66] STN International, through its web interface STNext, specializes in advanced structure and substance searching across scientific, technical, and intellectual property databases, also requiring institutional subscriptions for access. These platforms integrate the CAS REGISTRY database, which contains full substance profiles for over 290 million organic and inorganic substances, including chemical structures, systematic names, molecular formulas, and associated properties.^[2] CAS offers dedicated services for managing CASRNs, notably through CAS Registry Services, which handles requests for assigning new CASRNs to previously unregistered substances. This fee-based service, initiated in the 1970s to support systematic identification, charges approximately $70 USD per substance for basic lookups or assignments, with options for expedited processing and nomenclature consultation.^[6] Users submit chemical structures or details via the CAS Customer Center, where experts verify novelty against the REGISTRY database and issue unique identifiers if warranted.^[2] The REGISTRY database itself receives real-time updates, adding thousands of new substances daily from scientific literature, patents, and other sources to maintain its comprehensiveness.^[2] CAS also provides CAS Common Chemistry, a free public resource offering access to nearly 500,000 chemical substances from the CAS REGISTRY, including names, structures, and basic properties, for non-subscribers.^[67] Key features within these platforms enhance CASRN utilization, such as similarity searching, which identifies structurally related substances or reactions based on user-defined criteria like atom adjacency in reaction centers.^[68] Reaction mapping tools in SciFinder-n allow visualization of synthetic pathways, grouping results into schemes or transformations with filters for yield, conditions, and reagents to aid retrosynthesis planning.^[69] Recent enhancements, including expanded support for biologics as of 2022, enable more precise searching and mapping of complex biomolecules alongside small molecules.^[70] Access to these resources is governed by licensing policies that prioritize institutional subscriptions, ensuring controlled distribution, while individual researchers can seek verification or limited services directly through the CAS Customer Center.^[71]

Third-Party and Open Access Tools

PubChem, maintained by the National Institutes of Health (NIH) since its launch in 2004, serves as a major open-access resource for chemical data, including linkages to CAS Registry Numbers (CASRNs) across its collection of more than 322 million substances.^[72]^[73] This free database allows users to search by CASRN, name, or structure, integrating data from various contributors to provide identifiers, properties, and safety information without subscription fees.^[33] The European Chemicals Agency (ECHA) operates the ECHA CHEM database, launched in 2024, which offers public access to REACH registration data for thousands of substances, including their associated CASRNs to support compliance and hazard assessment.^[74]^[75] This resource covers phase-in substances from the EC Inventory and regulatory lists, enabling free searches for environmental and health-related chemical information under EU mandates.^[76] ChemSpider, provided by the Royal Society of Chemistry, is a free aggregator database containing over 130 million chemical structures with identifiers like CASRNs, allowing text and structure-based searches across hundreds of data sources.^[77]^[78] Similarly, Google Patents indexes millions of patent documents worldwide, where CASRNs are frequently cited in chemical inventions, facilitating open searches for intellectual property linked to specific substances.^[79]^[80] Open-source tools such as OPSIN (Open Parser for Systematic IUPAC Nomenclature) enable conversion of chemical names to structures and, through integration with databases, to identifiers including CASRNs, supporting automated workflows in research.^[81]^[82] Community-driven platforms, like those using standardized infoboxes for chemical entries, further promote open access by embedding CASRNs in collaborative knowledge bases.^[83] Despite these resources, coverage remains partial, excluding proprietary or unpublished data from the full CAS Registry. In 2025, EU revisions to REACH and the Data Act have mandated enhanced open data sharing for chemicals, expanding platforms like ECHA CHEM to include more comprehensive, publicly available CASRN-linked information.^[84]^[85]

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Data Sources - PubChem - NIH
A list of PubChem data contributors. Browse PubChem data sources by country, type of data provided or category such as chemical vendors/suppliers, ...
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CASNumberCheckDigit (Apache Commons Validator 1.10.0 API)
For example, the CAS number of water is 7732-18-5 : the checksum 5 is calculated as (8×1 + 1×2 + 2×3 + 3×4 + 7×5 + 7×6) = 105; 105 mod 10 = 5.
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Chemical Abstracts Service (CAS) Registry Number Validation
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[PDF] REGISTRY Database Summary Sheet (DBSS) - CAS
All types of inorganic and organic substances, including alloys, coordination compounds, minerals, mixtures, polymers, salts, high throughput screening (HTS).
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[PDF] Polymer Information on STN - CAS
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[PDF] CAS Registry Number Information Requirements
All substance information should be submitted with a completed order form to answers@cas.org. Orders with complete substance identity information can be ...
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CAS Coverage of Prophetic Substances
Patents with one million or more exemplified prophetic substances published on or after January 1, 2015 are covered in CAS Markush by one or more Markush ...
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[PDF] CAS Registration Criteria-Overview
For example, water, ice, and water vapor are all represented by CAS RN 7732-18-5. • CAS will register specific alloys, ions, isotopes, and elementary particles.<|control11|><|separator|>
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[PDF] Searching Coordination Compounds
Every unique chemical substance receives an individual Registry Number in the CAS Registry File, i.e., each stereoisomer, each co~npound with a different ...<|separator|>
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[PDF] ACS style guide - Indiana University of Pennsylvania
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Journal of Chemical & Engineering Data - Author Guidelines
Sharing your research with the public through the ACS Publications ... Authors must also provide either the CAS registry number or a 2D chemical structure.
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ACS Style Guide Citing Sources - Chemistry Research Guide
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Candidate List of substances of very high concern for Authorisation
The CAS number shown in an entry is typically for the anhydrous form. Hydrated forms of the substance identified by other CAS numbers are ...
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Chemicals subject to PIC - ECHA - European Union
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Chemical Hazard Classification (GHS) - Division of Research Safety
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CAS Commercial Sources
CAS Commercial Sources connects researchers with chemical suppliers by providing an aggregated source of current global chemical catalog data.Missing: applications quality control API tracking
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What is a CAS number? - 3E
Oct 8, 2024 · A CAS number is a unique identifier assigned to every chemical substance described in the open scientific literature.
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CAS STNext® - Pharmaceutical & Chemical Patent Search
CAS STNext® is the premier pharmaceutical and chemical patent search platform, offering a collection of global databases and custom-curated content.<|separator|>
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What is CAS Number for Active Pharmaceutical Ingredients?
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[PDF] Ingredient List for Covid-19 Vaccines Approved for use in USA - CAS
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COVID vaccine ingredients for children under 5 - CAS
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The Importance of Accurate HS Code Classification: How CAS ...
Aug 13, 2024 · Getting your HS classification code wrong can lead to some serious headaches, including hefty fines, delays, and even legal issues.
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PubChem Identifier Exchange Service - NIH
Registry IDs, SIDs, CIDs, InChIKey, and SMILES can be separated by white space, comma, tab, or carriage return, however InChI and Synonyms should be separated ...
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Package index • webchem - Docs
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InChI, the IUPAC International Chemical Identifier
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How to crack a SMILES: automatic crosschecked chemical structure ...
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Inventory - Labstep
Keep track of all your samples, reagents, chemicals, and other stocks with the Labstep Electronic Laboratory Notebook's Inventory Module. Seamlessly integrate ...
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FAIR Data Model for Chemical Substances - IntechOpen
For example, in the nanoinformatics field, CAS number is wrongly associated with the whole nanomaterial instead of with a particular NM component. Also in ...
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https://library.usfca.edu/ai-tools-databases/CAS
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CAS SciFinder Discovery Platform - CAS.org
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[PDF] CAS SciFinder-n Quick Reference Guide
This Quick Reference Guide will show you how to start using CAS SciFinderⁿ, the industry's most-trusted and comprehensive chemistry relevance engine. First, ...
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CAS SciFinder - Chemical Compound Database
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Academic User Terms of Use - CAS.org
Academic Users. These Terms of Use apply to Academic Research use of the following CAS solutions: BioFinderTM, and BioFinder Discovery PlatformTM.
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PubChem
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PubChem 2025 update - PubMed - NIH
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ECHA CHEM
This is ECHA's public chemicals database with information from all REACH registrations, Classification and Labelling Inventory and Regulatory lists and ...Navigation · Cookies policy · Legal notice
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EC Inventory - ECHA - European Union
Substances listed in EINECS are considered phase-in substances under the REACH Regulation. ... CAS no. Description · Molecular Formula · ' ...
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Search for Chemicals - ECHA - European Union
This is unique source of information on the chemicals manufactured and imported in Europe. It covers their hazardous properties, classification and labelling, ...
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ChemSpider: Search and Share Chemistry - Homepage
A free chemical structure database providing fast text and structure search access to over 130 million structures from hundreds of data sources.Simple search · Structure Search · Advanced Search · Data sourcesMissing: coverage Reaxys
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ChemSpider: An Online Chemical Information Resource
Aug 30, 2010 · ChemSpider is a free, online chemical database offering access to physical and chemical properties, molecular structure, spectral data, synthetic methods, ...
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Google Patents
Search and read the full text of patents from around the world with Google Patents, and find prior art in our index of non-patent literature.Advanced Search · Searching · Overview
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US9474780B2 - GIP and GLP-1 co-agonist compounds
Search specific patents by importing a CSV or list of patent publication or application numbers. ... CAS Registry Number 910463-68-2. Certain compounds of the ...
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OPSIN: Open Parser for Systematic IUPAC Nomenclature - EMBL-EBI
OPSIN is a freely available software that interprets systematic IUPAC nomenclature for chemistry and biochemistry and converts it into chemical structures.Missing: CAS RN
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Chemical Name to Structure: OPSIN, an Open Source Solution
We have produced an open source, freely available, algorithm (Open Parser for Systematic IUPAC Nomenclature, OPSIN) that interprets the majority of organic ...Missing: RN | Show results with:RN
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dan2097/opsin: Open Parser for Systematic IUPAC Nomenclature ...
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EU Proposes Significant 2025 Revisions to REACH Regulation
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