| Directory > Science > Chemistry > Chemical Databases 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/
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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
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Organic Syntheses
Free electronic version of printed Organic Syntheses series - detailed reliable experimental
methods for the synthesis of organic compounds.
http://orgsyn.org
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Synthetic Pages
Free interactive database of practical and reliable organic, organometallic and inorganic chemical
syntheses submitted by synthetic chemists.
http://www.syntheticpages.org/
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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
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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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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
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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
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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
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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/
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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/
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Acronym and Abbreviations Database
About 13000 acronyms and abbreviations related to chemistry.
http://www.oscar.chem.indiana.edu/cfdocs/libchem/acronyms/acronymsearch.html
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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/
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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/
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Abstract Database from Rapra
Subscription based online library providing information to rubber, plastic, and polymer industries.
http://abstracts.rapra.net/
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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
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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
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ChemExpo
News, stock reports, products, directories, classifieds, and profiles of commercially available
chemical products; focus reports;
http://www.chemexpo.com
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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
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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
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SOLV-DB
A free database of commercially available solvents searchable by many properties. Compiled by
National Center for Manufacturing Sciences.
http://solvdb.ncms.org/
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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
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OSHA Search Page
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
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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/
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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/
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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
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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
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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
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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
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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
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Derwent Information
Chemical, pharmaceutical and biotechnological databases, covering patents, journals and
conferences.
http://www.derwent.com/chemistry/
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Nanogen Index 2
Offers a book containing data on over 3000 pesticides and other environmental contaminants.
http://www.nanogens.co.uk/
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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/
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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
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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
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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
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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
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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
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FTIRsearch.com
Search a database of 87,000 FTIR and Raman spectra using text or full spectral comparison. JAVA
required.
http://ftirsearch.com
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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
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Thermodata
Databases and software for thermochemistry.
http://thermodata.online.fr/thermang/anglais.html
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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/
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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/
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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/
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MDLI Information Systems
Provider of chemical structural databases and information management software to the chemical,
agrochemical, and pharmaceutical industry.
http://www.mdli.com
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Chemfinder Chemical Directory
Directory of chemicals, physical properties, and Internet links.
http://www.chemfinder.com
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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
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SPECS and BioSPECS B.V.
Provider of chemical compound library's for HTS in vials or plates.
http://www.specs.net
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Database Searching at Liverpool
Chemistry Literature Searching (BIDS ISI, ISIS, Camb Struc Data, Beilstein, journals).
http://www.liv.ac.uk/Chemistry/Library/DatabaseSearching.html
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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
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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/
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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/
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