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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/
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/
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/index...
eMolecules: Searching the World's Chemistry
Free chemical structure search engine. Millions of public domain structures. Very fast substructure searching. Results link to data about these structures. Searching for chemical names and synonyms. Finding commercial sources of chemical compounds from vendors worldwide.
http://www.emolecules.com
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.
http://www.interscience.wiley.com/db/wdpp
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
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
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
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/
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/f...
Acronym and Abbreviations Database
About 13000 acronyms and abbreviations related to chemistry.
http://www.oscar.chem.indiana.edu/cfdocs/l...
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
Nanogen Index 2
Offers a book containing data on over 3000 pesticides and other environmental contaminants.
http://www.nanogens.co.uk/
Abstract Database from Rapra
Subscription based online library providing information to rubber, plastic, and polymer industries.
http://abstracts.rapra.net/
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.fu...
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...
Public Chromatography Applications Database
Contains HPLC and GC applications provided by major vendors of chromatography equipment. Can be searched by numerous chromatographic parameters, as well as by structure, substructure, and structural similarity.
http://www.chromdb.com
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/HiTempThermo/
ESIS: European chemical Substances Information System
Provides information on chemicals, related to: EINECS, ELINCS, HPVCs & LPVCs, Classification and Labeling, IUCLID Chemical Data Sheets, Risk Assessment.
http://ecb.jrc.it/esis/
FTIRsearch.com
Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA required.
http://ftirsearch.com
PubChem
Free database of chemical structures of small organic molecules and information on their biological activities. Linked with NIH PubMed/Entrez information retrieval system.
http://pubchem.ncbi.nlm.nih.gov/
Thermodata
Databases and software for thermochemistry.
http://thermodata.online.fr/anglais.html
Organic Reactions on Wiley InterScience
Comprehensive database of important synthetic reactions, with all published examples of the topic reactions.
http://www.interscience.wiley.com/db/or
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/
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://irsldb.pu-toyama.ac.jp/
Derwent Information
Chemical, pharmaceutical and biotechnological databases, covering patents, journals and conferences.
http://www.derwent.com/chemistry/
Organic Syntheses
Describes checked and edited experimental procedures, spanning a broad range of synthetic methodologies. CrossRef(R) and Chemport(R) enabled reference linking.
http://www.interscience.wiley.com/db/os
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
ZINC
Free database of over 2.7 million commercially-available compounds for virtual screening in ready-to-dock, 3D format.
http://zinc.docking.org
Spectra databases for analytical laboratories
ATR, FT IR, and Raman Spectra of chemicals and other compounds. Includes polymers, solvents, forensics, etc.
http://www.stjapan.de
Chemfinder Chemical Directory
Directory of chemicals, physical properties, and Internet links.
http://chemfinder.cambridgesoft.com/
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/data...
SOLV-DB
A free database of commercially available solvents searchable by many properties. Compiled by National Center for Manufacturing Sciences.
http://solvdb.ncms.org/
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
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
STM Data
Data collections from Science, Technology and Medicine (STM): AntiBase (natural compound identifier), AmicBase (antimicrobial activity verifier), Mass Spectra (MS) of Pharmaceuticals and Agrochemicals, Infrared Spectra (IR) of Polymers.
http://www.wiley-vch.de/stmdata/
Query Chem
Chemical search engine powered by the Google Web API.
http://llama.med.harvard.edu/~jklekota/Que...
Organic Synthesis series
All annual volumes of Organic Syntheses in ISIS/Base format. Checked and edited experimental synthetic procedures.
http://www.exchemistry.com/orgsyntheses.ht...
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/
ChemRef
Database of organic compounds that have been identified in petroleum materials. Includes chromatographic separations, mass spectra, chemical structures, molecular weight, etc.
http://www.chemref.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/
Wiley's Scientific, Technical and Medicinal Databases
Spectroscopic databases/libraries (mass spectrometry, NMR, and IR) and organic chemistry and reaction databases (Organic Reactions). Enterprise spectroscopy server software, Specinfo.
http://eu.wiley.com/WileyCDA/Section/id-10...
ChemExpo
News, stock reports, products, directories, classifieds, and profiles of commercially available chemical products; focus reports;
http://www.chemexpo.com
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/
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
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-che...
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
MDL Information Systems, Inc.
MDL is a leading provider of integrated logistics and decision support systems that enable a high-throughput environment for research and development in the life sciences and chemical industries.
http://www.mdli.com
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.h...
Reciprocal Net
Distributed database used by research crystallographers to store information about 3D molecular structures.
http://www.reciprocalnet.org
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.h...
EuroSpec
International spectroscopic data bank and archive project for spectroscopic and associated data, from peer reviewed publications, with link to the chemical abstracts register.
http://www.is-db.org/eurospec/
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/
SPECS and BioSPECS B.V.
Provider of chemical compound library's for HTS in vials or plates.
http://www.specs.net
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
Synthetic Pages
Free interactive database of practical and reliable organic, organometallic and inorganic chemical syntheses submitted by synthetic chemists.
http://www.syntheticpages.org/
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
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
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-data...
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
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
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
Chemical Abstracts Service (CAS)
Produces the world's largest and most comprehensive databases of chemical information.
http://www.cas.org/
Munir's Pages
Database containing experimental LogP values together with 2D and calculated 3D structures of more than 500 chemical compounds.
http://www.essiz.net/muniressiz/chimie/chi...
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...
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2006