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This page was last updated on October 15th, 2008
This page was last updated on October 15th, 2008
Chemical Databases (from Chemistry)
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Chemfinder Chemical Directory
Directory of chemicals, physical properties, and Internet links.
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.
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.
Synthesis Reviews Database
Free database of more than 16000 references to English review articles (from journals and books) of interest to synthetic organic chemists.
Organic Reactions on Wiley InterScience
Comprehensive database of important synthetic reactions, with all published examples of the topic reactions.
IRSLDB-Infrared and Raman Spectroscopy Literature Database
Bibliography of infrared and Raman spectroscopy and its applications. Provides reference data (title, author(s), journal, page, date info.) collected from 123 journals, grouped into 129 classes.
Structure Database of Chemicals with Pharmaceutical Activity
Animations require the Chime plug-in to view. From Oxford University, UK.
WebReactions - Organic Reaction Retrieval System
Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.
Derwent Information
Chemical, pharmaceutical and biotechnological databases, covering patents, journals and conferences.
Chem Sources-Online
Supplier information for approximately 200000 chemical compounds. Searching for compounds is free, the supplier information is fee based.
Organic Synthesis series
All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.
Hazardous Chemical Database
Contains names, formulas and registry numbers for 1991 hazardous chemicals. This site was last updated in 1996.
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.
DIPPR (Design Institute for Physical Property Data) Project 801
Compilation of reliable physical, thermodynamic, and transport properties for 1,793 industrially important chemical compounds with 44 properties. The database is sponsored by AIChE.
LiqCryst - Online
Information about approximately 75000 compounds with liquid crystalline properties. Compound search is free, the compound data are fee based.
Chemical Abstracts Service (CAS)
World's largest and most comprehensive chemical database with over 21 million document records and 37 million substances listed.
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.
Polymer Database PoLyInfo
Provides free access to data required in polymeric material design - structures, names, and properties of monomers and polymers, polymerization information.
Thermodata
Databases and software for thermochemistry.
Organic Syntheses
Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
FTIRsearch.com
Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA required.
Abstract Database from Rapra
Subscription based online library providing information to rubber, plastic, and polymer industries.
ChemBank - Small Molecule Bioactives Database
Chemical structures and biological activity data for over 2,000 compounds, primarily from published sources.
SOLV-DB
A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.
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.
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.
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.
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.
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.
Database Searching at Liverpool
Chemistry Literature Searching (BIDS ISI, ISIS, Camb Struc Data, Beilstein, journals).
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.
Wiley Database of Polymer Properties
Physical property data for polymers commercially available, with experimentally determined and selected data for over 2,500 polymers. Derived from the Polymer Handbook.
SPECS and BioSPECS B.V.
Provider of chemical compound library's for HTS in vials or plates.
OSHA Search Page
Database of documents produced by Occupational Safety and Health Administration, including analytical methods and chemical sampling information.
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.
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.
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.
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
CML Reference Collection
Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
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.
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.
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.
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.
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.
Acronym and Abbreviations Database
About 13000 acronyms and abbreviations related to chemistry.
Nanogen Index 2
Offers a book containing data on over 3000 pesticides and other environmental contaminants.
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.
JAICI
JAICI is a not-for-profit scientific information service organization featuring, in particular, chemical expertise.
ChemExpo
News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
MDLI Information Systems
Provider of chemical structural databases and information management software to the chemical, agrochemical, and pharmaceutical industry.
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.
NIST Chemistry WebBook
Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
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.
Synthetic Pages
Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.
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.
Directory of chemicals, physical properties, and Internet links.
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.
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.
Free database of more than 16000 references to English review articles (from journals and books) of interest to synthetic organic chemists.
Comprehensive database of important synthetic reactions, with all published examples of the topic reactions.
Bibliography of infrared and Raman spectroscopy and its applications. Provides reference data (title, author(s), journal, page, date info.) collected from 123 journals, grouped into 129 classes.
Animations require the Chime plug-in to view. From Oxford University, UK.
Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.
Chemical, pharmaceutical and biotechnological databases, covering patents, journals and conferences.
Supplier information for approximately 200000 chemical compounds. Searching for compounds is free, the supplier information is fee based.
All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.
Contains names, formulas and registry numbers for 1991 hazardous chemicals. This site was last updated in 1996.
Searchable database for publications and resources about the effect of hazardous substances on public health and the environment.
Compilation of reliable physical, thermodynamic, and transport properties for 1,793 industrially important chemical compounds with 44 properties. The database is sponsored by AIChE.
Information about approximately 75000 compounds with liquid crystalline properties. Compound search is free, the compound data are fee based.
World's largest and most comprehensive chemical database with over 21 million document records and 37 million substances listed.
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.
Provides free access to data required in polymeric material design - structures, names, and properties of monomers and polymers, polymerization information.
Databases and software for thermochemistry.
Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA required.
Subscription based online library providing information to rubber, plastic, and polymer industries.
Chemical structures and biological activity data for over 2,000 compounds, primarily from published sources.
A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.
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.
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.
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.
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.
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.
Chemistry Literature Searching (BIDS ISI, ISIS, Camb Struc Data, Beilstein, journals).
Database of methods, taken largely from the peer-review scientific literature, for matrix-assisted laser desorption ionization (MALDI) mass spectrometry of synthetic polymers.
Physical property data for polymers commercially available, with experimentally determined and selected data for over 2,500 polymers. Derived from the Polymer Handbook.
Provider of chemical compound library's for HTS in vials or plates.
Database of documents produced by Occupational Safety and Health Administration, including analytical methods and chemical sampling information.
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.
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.
Point properties and thermodynamic and transport properties of over 500 common organic compounds and gases. Program calculates mixture properties. Demo version available.
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
Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
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.
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.
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.
The largest numeric database system in China for chemical, petrochemical, metallurgical industries. Provides experimental data, reference information. Can also perform data estimation.
Contains more than 100,000 experimental points concerning the phase behavior and the thermal properties of aqueous solutions containing electrolytes and/or non-electrolytes.
About 13000 acronyms and abbreviations related to chemistry.
Offers a book containing data on over 3000 pesticides and other environmental contaminants.
Database of thermodynamic and transport properties of pure components and mixtures for use in process design and development and related software package.
JAICI is a not-for-profit scientific information service organization featuring, in particular, chemical expertise.
News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
Provider of chemical structural databases and information management software to the chemical, agrochemical, and pharmaceutical industry.
Free database containing thermochemistry data for over 400 compounds relevant to high-temperature processes used in materials synthesis. Searching by molecular formula.
Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
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.
Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.
Providing information to the scientific community on all aspects of the analytical sciences in education, chemical suppliers, consultancies, instrumentation and research.
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