Information on Chemicals & Chemical Structures
Arizona State University (ASU) Libraries Index to Physical, Chemical & other Property Data
This site is an index to selected ASU Noble Science and Engineering Library and internet resources. These resources contain chemical, physical, thermodynamic, toxicological and safety data.
Bilbao Crystallographic Server
Crystallographic databases and programs from the Materials Laboratory of the University of Basque Country, Spain.
The site indexes many hundreds of websites that contain free chemical and spectroscopic data. It is possible to search the site using CAS Registry numbers, the most effective means of searching for any chemical substance.
Chemical Entities of Biological Interest (CheBI)
An online dictionary of naturally occurring compounds and biologically active synthetic compounds which is compliant with the International Union of Pure and Applied Chemistry (IUPAC).
Provides access to structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system. ChemIDplus also provides structure searching and direct links to many biomedical resources at NLM and on the internet for chemicals of interest. The database contains over 380,000 chemical records, of which over 269,000 include chemical structures, and is searchable by Name, Synonym, CAS Registry Number, Molecular Formula, Classification Code, Locator Code, Structure, and/or Biological/Chemical properties. You can also instantly check the validity of any CAS Registry Number you have been given.
CosIng is the European Commission database with information on cosmetic ingredients. It is searchable by name, CAS, EINECS or ELINCS number.
Crystal Lattice Structures
Over 250 structures are listed on this site maintained by the US Department of the Navy.
Crystallography Open Database
12,000 entries plus the Predicted Crystallography Open Database.
Daresbury Chemical Database Service (CDS)
The CDS site offers UK academics free access to a number of important physical property databases.
Provides a structure searchable database of over 7 million chemical structures and chemical data from more than 140 suppliers, with standard quarterly updates and weekly updates as necessary. Where appropriate, there are reference links to many prominent sources of public data for spectra, physical properties and biological data, including NIST WebBook, National Cancer Institute, DrugBank and PubChem.
European chemical Substances Information System.
European Inventory of Existing Commercial Chemical Substances (EINECS)
The EINECS database provides general information such as CAS number, EINECS number, Substance Name and Chemical Formula for 100,204 chemical substances. Where available each compound entry is linked to risk and safety phrases and IUCLID and OECD chemical data sheets.
IUPAC Compendium of Chemical Terminology - the Gold Book
This interactive Compendium popularly referred to as the "IUPAC Gold Book", is one of the series of IUPAC "Colour Books" on chemical nomenclature, terminology, symbols and units, and collects together terminology definitions from IUPAC recommendations already published in Pure and Applied Chemistry and in the other Colour Books.
IUPAC Solubility Database homepage
A database of solubilities compiled and evaluated by IUPAC (International Union of Pure and Applied Chemistry)
Journal of Physical and Chemical Reference Data
Journal of Physical and Chemical Reference Data is published quarterly by the American Institute of Physics for the National Institute of Standards and Technology. The objective of the Journal is to provide critically evaluated physical and chemical property data, fully documented as to the original sources and the criteria used for evaluation.
Material Safety Data Sheets
Where to find Material Safety Data Sheets on the Internet.
Properties database for over 69,000 materials
NIST Chemistry WebBook
Thermochemical, spectroscopic, thermophysical and energetics data from the US National Institute of Standards and Technology.
The Physical and Theoretical Chemistry Laboratory
Chemical and Other Safety Information.
PubChem includes substance information, compound structures, and bioactivity data in three primary databases, PCSubstance, PCCompound, and PCBioAssay, respectively. The PubChem substance database contains chemical structures, synonyms, registration IDs, description, related urls, database cross-reference links to PubMed, protein 3D structures, and biological screening results. If the contents of a chemical sample are known, the description includes links to PubChem Compound.
Search nearly 25 million chemical structures and their properties, patents, publications and more
Spectral Data Base (SDBS)
Spectral data (EI-MS, FT-IR, 1H- 13C- NMR, Raman, ESR) search engine for organic compounds.
Tables of Physical and Chemical Constants - Kaye and Laby
This excellent resource is provided free of charge by the National Physical Laboratory and has been in existence for over 90 years. Comprises tables of physical and chemical constants sections include SI Units and fundamental constants; general physics; chemistry, including the elements, properties of inorganic compounds, properties of organic compounds, vapour pressure, properties of solutions, properties of chemical bonds, molecular spectroscopy, electrochemistry, chemical thermodynamics and a large range of other data.
Contains four databanks that are provided free of charge by the US National Library of Medicine. Of particular interest is the Hazardous Substances Data Bank, which is an evaluated databank of approximately 4,500 potentially hazardous substances.
LINKS MUST START WITH http:// and go to an external website (not rsc.org) Visual Elements is a visual arts and science collaborative project which aims to explore and reflect upon the diversity of elements that comprise matter in as unique and innovative manner as possible.
Provided by the University of Sheffield, WebElements lists physical, chemical and biochemical data of the elements.
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Contact and Further Information
Library & Information Centre
Royal Society of Chemistry, Burlington House, Piccadilly, London W1J 0BA
Tel: +44 (0) 20 7440 3373
Fax: +44 (0) 20 7440 3393