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Chemical Databases
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Abstract Database from Rapra open in new window
Subscription based online library providing information to rubber, plastic, and polymer industries.
(http://abstracts.rapra.net/)

Acronym and Abbreviations Database open in new window
About 13000 acronyms and abbreviations related to chemistry.
(http://www.oscar.chem.indiana.edu/cfdocs/libchem/acronyms/ac)

Agency for Toxic Substances and Disease Registry open in new window
Searchable database for publications and resources about the effect of hazardous substances on public health and the environment.
(http://www.atsdr.cdc.gov/search)

Analytical Science and Instruments Limited open in new window
Providing information to the scientific community on all aspects of the analytical sciences in education, chemical suppliers, consultancies, instrumentation and research.
(http://www.analytical-science.com)

CCINFOweb open in new window
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.
(http://ccinfoweb.ccohs.ca/aboutCCINFOweb.html)

Chem Sources-Online open in new window
Supplier information for approximately 200000 chemical compounds. Searching for compounds is free, the supplier information is fee based.
(http://www.chemsources.com/chemonline.html)

ChemBank open in new window
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.
(http://chembank.med.harvard.edu/)

Chemcyclopedia Plus open in new window
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.
(http://pubs.acs.org/chemcy/)

ChemExpo open in new window
News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
(http://www.chemexpo.com)

Chemfinder Chemical Directory open in new window
Directory of chemicals, physical properties, and Internet links.
(http://www.chemfinder.com)

Chemical Abstracts Service (CAS) open in new window
World's largest and most comprehensive chemical database with over 21 million document records and 37 million substances listed.
(http://www.cas.org/)

Chemical Kinetics and Thermochemistry Database for High-Temperature Materials Synthesis open in new window
Free database containing thermochemistry data for over 400 compounds relevant to high-temperature processes used in materials synthesis. Searching by molecular formula.
(http://www.ca.sandia.gov/crf/03_collaboratories/ThermoKinDat)

ChemIDplus open in new window
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.
(http://chem.sis.nlm.nih.gov/chemidplus/)

Chemizen Info - The ChemBiz Information in Asia open in new window
Commercial database of information covering Asian chemical industry.
(http://www.chemizeninfo.com)

ChemWeb Databases open in new window
Database area of the popular chemistry portal offering access to several databases, some of them are free. Free membership required.
(http://chemweb.com/databases/)

CML Reference Collection open in new window
Commercial database of more than 120,000 3D molecular structures expressed in CML (Chemical Markup Language) format.
(http://www.randomfactory.com/cml.html)

Database Searching at Liverpool open in new window
Chemistry Literature Searching (BIDS ISI, ISIS, Camb Struc Data, Beilstein, journals).
(http://www.liv.ac.uk/Chemistry/Library/DatabaseSearching.htm)

DDBST - Dortmund Data Bank and DDB Software Package open in new window
Database of thermodynamic and transport properties of pure components and mixtures for use in process design and development and related software package.
(http://www.ddbst.de)

Derwent Information open in new window
Chemical, pharmaceutical and biotechnological databases, covering patents, journals and conferences.
(http://www.derwent.com/chemistry/)

DETHERM Thermophysical Properties open in new window
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.
(http://i-systems.dechema.de/detherm)

Engineering Chemistry Databases open in new window
The largest numeric database system in China for chemical, petrochemical, metallurgical industries. Provides experimental data, reference information. Can also perform data estimation.
(http://159.226.63.177/)

FTIRsearch.com open in new window
Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA required.
(http://ftirsearch.com)

Fydat - Physical Property Database open in new window
Point properties and thermodynamic and transport properties of over 500 common organic compounds and gases. Program calculates mixture properties. Demo version available.
(http://home.worldonline.cz/~cz050233/indexe.html)

Hazardous Chemical Database open in new window
Contains names, formulas and registry numbers for 1991 hazardous chemicals. This site was last updated in 1996.
(http://ull.chemistry.uakron.edu/erd/)

Indiana University Molecular Structure Center open in new window
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 rendered images. Currently contains over 2,500 molecules.
(http://www.iumsc.indiana.edu)

IUPAC Compendium of Chemical Terminology open in new window
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.
(http://www.chemsoc.org/goldbook)

JAICI open in new window
JAICI is a not-for-profit scientific information service organization featuring, in particular, chemical expertise.
(http://www.jaici.or.jp/english/index_e.htm)

LiqCryst - Online open in new window
Information about approximately 75000 compounds with liquid crystalline properties. Compound search is free, the compound data are fee based.
(http://liqcryst.chemie.uni-hamburg.de/lc/fc_lolas_e.html)

MALDI Database from NIST Polymers Division open in new window
Database of methods, taken largely from the peer-review scientific literature, for matrix-assisted laser desorption ionization (MALDI) mass spectrometry of synthetic polymers.
(http://polymers.msel.nist.gov/maldirecipes/)

MDLI Information Systems open in new window
Provider of chemical structural databases and information management software to the chemical, agrochemical, and pharmaceutical industry.
(http://www.mdli.com)

Nanogen Index 2 open in new window
Offers a book containing data on over 3000 pesticides and other environmental contaminants.
(http://www.nanogens.co.uk/)

NCI-3D Database open in new window
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.
(http://chem.sis.nlm.nih.gov/nci3d/)

NIST Chemistry WebBook open in new window
Database of organic chemistry compounds, organized by species. Contains chemical and physical property data on over 30,000 compounds.
(http://webbook.nist.gov/chemistry/)

OSHA Search Page open in new window
Database of documents produced by Occupational Safety and Health Administration, including analytical methods and chemical sampling information.
(http://www.osha-slc.gov/html/dbsearch.html)

RADEN Data Bank open in new window
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.
(http://www.chem.msu.ru/homes/raden/index.htm)

Risk Management Internet Services - Chemical Databases open in new window
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.
(http://www.rmis.com/db/dbchemicals.htm)

SOLV-DB open in new window
A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.
(http://solvdb.ncms.org/)

SPECS and BioSPECS B.V. open in new window
Provider of chemical compound library's for HTS in vials or plates.
(http://www.specs.net)

Spectra Online Database Search open in new window
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.
(http://www.galactic.com/SpcOnline.htm)

SPRESIweb - InfoChem GmbH open in new window
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.
(http://www.infochem.de)

Structure Database of Chemicals with Pharmaceutical Activity open in new window
Animations require the Chime plug-in to view. From Oxford University, UK.
(http://www.chem.ox.ac.uk/mom/chemical-database/)

Synthesis Reviews Database open in new window
Free database of more than 14000 English review articles (from journals and books) of interest to synthetic organic chemists.
(http://www.chem.leeds.ac.uk/srev/srev.htm)

The ChemExper Chemicals Directory open in new window
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.
(http://www.chemexper.com/)

Thermodata open in new window
Databases and software for thermochemistry.
(http://thermodata.online.fr/thermang/anglais.html)

WebReactions - Organic Reaction Retrieval System open in new window
Free reaction search system offering direct retrieval of reaction precedents. Search based on reaction types and bonding change.
(http://webreactions.net)


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