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

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.
http://pubs.acs.org/chemcy/

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.
http://www.atsdr.cdc.gov/search

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

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.
http://www.ca.sandia.gov/crf/03_collaboratories/ThermoKinData/index.html

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.
http://chem.sis.nlm.nih.gov/chemidplus/

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

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

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.
http://www.ddbst.de

ChemExpo
News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
http://www.chemexpo.com

LiqCryst - Online
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

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.
http://www.infochem.de

Abstract Database from Rapra
Subscription based online library providing information to rubber, plastic, and polymer industries.
http://abstracts.rapra.net/

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.
http://chem.sis.nlm.nih.gov/nci3d/

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

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

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

Chemfinder Chemical Directory
Directory of chemicals, physical properties, and Internet links.
http://www.chemfinder.com

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

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

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

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

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.
http://159.226.63.177/

Synthetic Pages
Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.
http://www.syntheticpages.org/

Organic Syntheses
Free electronic version of printed Organic Syntheses series - detailed reliable experimental methods for the synthesis of organic compounds.
http://orgsyn.org

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.
http://srdata.nist.gov/solubility

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.
http://www.eurospec.org/

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.
http://www.elsevier.com/pub/6/9/show/

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��.
http://dippr.byu.edu

OSHA Search Page
Database of documents produced by Occupational Safety and Health Administration, including analytical methods and chemical sampling information.
http://www.osha.gov/pls/oshaweb/owasrch.full_site_search

Acronym and Abbreviations Database
About 13000 acronyms and abbreviations related to chemistry.
http://www.oscar.chem.indiana.edu/cfdocs/libchem/acronyms/acronymsearch.html

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.
http://polymers.msel.nist.gov/maldirecipes/

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.
http://chembank.med.harvard.edu/

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.
http://www.ivc-sep.kt.dtu.dk/databank/databank.asp

Polymer Database PoLyInfo
Provides free access to data required in polymeric material design - structures, names, and properties of monomers and polymers, polymerization information.
http://polymer.nims.go.jp/polyinfo_top_eng.htm

Synthesis Reviews Database
Free database of more than 16000 references to English review articles (from journals and books) of interest to synthetic organic chemists.
http://www.thieme-chemistry.com/thieme-chemistry/journals/info/freedata/index.shtml

ChemBank - Small Molecule Bioactives Database
Chemical structures and biological activity data for over 2,000 compounds, primarily from published sources.
http://chembank.med.harvard.edu/bioactives/

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.
http://chemnetbase.com

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.
http://www.chemexper.com/

Thermodata
Databases and software for thermochemistry.
http://thermodata.online.fr/thermang/anglais.html

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.
http://www.chem.msu.ru/homes/raden/index.htm

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

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.
http://www.galactic.com/SpcOnline.htm

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.
http://home.worldonline.cz/~cz050233/indexe.html

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 rendered images. Currently contains over 2,500 molecules.
http://www.iumsc.indiana.edu

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.
http://www.rmis.com/db/dbchemicals.htm

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.
http://www.analytical-science.com

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

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

Derwent Information
Chemical, pharmaceutical and biotechnological databases, covering patents, journals and conferences.
http://www.derwent.com/chemistry/

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.
http://ccinfoweb.ccohs.ca/aboutCCINFOweb.html

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.
http://www.chemsoc.org/goldbook

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

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.
http://i-systems.dechema.de/detherm

Chembargains.com - Chemical Suppliers Database
Forward and reverse auction listings by chemical suppliers and buyers. Prices, specifications and safety data sheets for various compounds.
http://www.chembargains.com/chemical-supply-lead.php

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