Chemical Databases

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» Abstract Database from Rapra - Subscription based online library providing information to rubber, plastic, and polymer industries.
» Acronym and Abbreviations Database - About 13000 acronyms and abbreviations related to chemistry.
» Agency for Toxic Substances and Disease Registry - Searchable database for publications and resources about the effect of hazardous substances on public health and the environment.
» Analytical Science and Instruments Limited - Providing information to the scientific community on all aspects of the analytical sciences in education, chemical suppliers, consultancies, instrumentation and research.
» CCINFOweb - Web access to health and safety databases covering over 185000 chemical substances. Provided by Canadian Centre for Occupational Health (CCOHS). Free access to CHEMINFO database.
» CHEMnetBASE - Online access to major chemical reference works from Chapman & Hall/CRC including Combined Chemical Dictionary (CCD), The Handbook of Chemistry & Physics, Polymers: A Property Database, Properties of Organic Compounds.
» CML Reference Collection - Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
» Chem Sources-Online - Supplier information for approximately 200000 chemical compounds. Searching for compounds is free, the supplier information is fee based.
» ChemBank - Initiative for Chemical Genetics. Freely available collection of data about small molecules (over 2000 compounds) and resources for studying their properties, especially their effects on biology.
» ChemBank - Small Molecule Bioactives Database - Chemical structures and biological activity data for over 2,000 compounds, primarily from published sources.
» ChemExpo - News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
» ChemIDplus - A free database of 350000 chemical compounds. Records consist of name, synonyms, CAS number, molecular formula, and direct links to biomedical resources. Included also over 100000 structures. Searchable by substructure with free Chime plugin.
» ChemWeb Databases - Database area of the popular chemistry portal offering access to several databases, some of them are free. Free membership required.
» Chemcyclopedia Plus - An annual supplement to Chemical & Engineering News (C&EN). Provides users/purchasers of chemicals with trade names, packaging, special shipping requirements, potential applications, and CAS Registry Numbers. Chemicals are listed in categories.
» Chemfinder Chemical Directory - Directory of chemicals, physical properties, and Internet links.
» Chemical Abstracts Service (CAS) - World's largest and most comprehensive chemical database with over 21 million document records and 37 million substances listed.
» Chemical Kinetics and Thermochemistry Database for High-Temperature Materials Synthesis - Free database containing thermochemistry data for over 400 compounds relevant to high-temperature processes used in materials synthesis. Searching by molecular formula.
» DDBST - Dortmund Data Bank and DDB Software Package - Database of thermodynamic and transport properties of pure components and mixtures for use in process design and development and related software package.
» DETHERM Thermophysical Properties - Thermophysical properties of pure substances and mixtures. Phase equilibrium data, caloric data, critical data, transport properties, electrolyte data. Data sets with descriptors and bibliographic references.
» Database Searching at Liverpool - Chemistry Literature Searching (BIDS ISI, ISIS, Camb Struc Data, Beilstein, journals).
» Derwent Information - Chemical, pharmaceutical and biotechnological databases, covering patents, journals and conferences.
» Engineering Chemistry Databases - The largest numeric database system in China for chemical, petrochemical, metallurgical industries. Provides experimental data, reference information. Can also perform data estimation.
» EuroSpec - International spectroscopic data bank and archive project for spectroscopic and associated data, from peer reviewed publications, with link to the chemical abstracts register. Started on January 1st 2002, in Dortmund, Germany.
» FTIRsearch.com - Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA required.
» Fydat - Physical Property Database - Point properties and thermodynamic and transport properties of over 500 common organic compounds and gases. Program calculates mixture properties. Demo version available.
» Hazardous Chemical Database - Contains names, formulas and registry numbers for 1991 hazardous chemicals. This site was last updated in 1996.
» IUPAC Compendium of Chemical Terminology - Also known as the IUPAC Gold Book. Searchable database of nearly 7000 IUPAC-approved definitions of chemical terms. IUPAC - The International Union of Pure and Applied Chemistry.
» IUPAC-NIST Solubility Data Series Database - Comprising 11 volumes from the IUPAC Solubility Data Series liquids with liquids. A limited number of multi-component (organic-water-salt) systems are also included.
» Indiana University Molecular Structure Center - Small molecule database of structures that have primarily been determined using single crystal X-ray diffraction. Features JAVA applets that can be used to orient and examine the molecule, and a dedicated Beowulf computer system to generate high quality
» JAICI - JAICI is a not-for-profit scientific information service organization featuring, in particular, chemical expertise.
» LiqCryst - Online - Information about approximately 75000 compounds with liquid crystalline properties. Compound search is free, the compound data are fee based.
» MALDI Database from NIST Polymers Division - Database of methods, taken largely from the peer-review scientific literature, for matrix-assisted laser desorption ionization (MALDI) mass spectrometry of synthetic polymers.
» MDLI Information Systems - Provider of chemical structural databases and information management software to the chemical, agrochemical, and pharmaceutical industry.
» NCI-3D Database - A free database of more than 120000 substances with 2D and 3D information compiled from the National Cancer Institute. Searchable by substructure with free Chime plugin.
» NIST Chemistry WebBook - Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
» Nanogen Index 2 - Offers a book containing data on over 3000 pesticides and other environmental contaminants.
» OSHA Search Page - Database of documents produced by Occupational Safety and Health Administration, including analytical methods and chemical sampling information.
» Organic Syntheses - Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
» Polymer Database PoLyInfo - Provides free access to data required in polymeric material design - structures, names, and properties of monomers and polymers, polymerization information.
» RADEN Data Bank - Is designed for compilation of experimental researches and calculations of the RADiative and ENergy parameters defining the distribution of intensity in electronic and vibrational spectra of diatomic molecules.
» Risk Management Internet Services - Chemical Databases - MSDS, toxicology profiles, chemical health hazards, chemical labeling requirements, TLVs, government lists of hazardous substances, pesticide information, storage compatibility, and chemical safety guides. Use of site requires paid subscription.
» SOLV-DB - A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.
» SPECS and BioSPECS B.V. - Provider of chemical compound library's for HTS in vials or plates.
» SPRESIweb - InfoChem GmbH - The new SpresiWeb developed by InfoChem is an integrated scientific database containing over 4.5 million molecules, 3.5 million reactions, 380,000 references, 98,000 patents covering years 1974 - 1999.
» Spectra Online Database Search - A FREE searchable database containing over 6,000 IR, Raman, MS, C13 NMR, H1 NMR, UV/VIS and NIR spectra. Pure compounds are searchable by CAS number, formula and physical properties.JAVA required.
» Structure Database of Chemicals with Pharmaceutical Activity - Animations require the Chime plug-in to view. From Oxford University, UK.
» Synthesis Reviews Database - Free database of more than 16000 references to English review articles (from journals and books) of interest to synthetic organic chemists.
» Synthetic Pages - Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.
» The ChemExper Chemicals Directory - A catalog of 60000 fine chemicals searchable for free using a chemist-friendly search engine. Products are listed with physical data including IR spectra and MSDS. Contributions to the database possible with dedicated (and free) program.
» The IVC-SEP Data Bank for Electrolyte Solutions - Contains more than 100,000 experimental points concerning the phase behavior and the thermal properties of aqueous solutions containing electrolytes and/or non-electrolytes.
» Thermodata - Databases and software for thermochemistry.
» WebReactions - Organic Reaction Retrieval System - Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.