Chemical Databases

You probably know what elemental carbon looks like (think diamond or graphite), but you might not know what indium or cadmium look like. Here's a collection of photographs of the elements to help you out.

This is a collection of safety signs and symbols commonly seen in a science laboratory, particularly a chemistry lab.

This is an alphabetical list of organic compound names and formulas.

The valences aren't just those you see in the columns of the periodic table! Check out this chart of element valences to help determine potential chemical reactions.

This is a table listing many of the pharmaceuticals that are derived from plants, including the names of the drugs, their actions, plant sources, and the common names of the plants.

This table is a compilation of the electron configurations of the elements up through number 104. Tips for writing out stable configurations and for shorthand notation are included.

Many molecules are identified by a number following a CAS prefix. What are these CAS numbers and what do they mean?

The IUPAC Commission on Atomic Weights and Isotopic Abundances 2001 list is provided here. It's interesting to see how abundances 'change' over time.

Proper browser plug-ins allow access to three-dimensional viewing. From the National Cancer Institute.

Web version of the International Union of Pure and Applied Chemistry data. From Queen Mary & Westfield College.

This is an internet repository for NMR spectroscopy data on proteins, peptides, and nucleic acids. Separate sections exist for biological macromolecules, NMR spectral parameters, kinetics, thermodynamics, and structure.

Software and databases allowing manipulations of protein/nucleic acid structures. From Imperial Cancer Research Fund.

Explore protein Class, Architecture, Topology and Homologous superfamily. From University College London.

Clearinghouse for Chemical Information Instructional Materials. Chemical patents, chemical name, and formula searching.

Tutorials and databases of macromolecular structure and dynamics. From US National Institutes of Health.

Chemcompass provides a database for the chemical industry of over 20,000 products, 2,000 companies, brands, EINECS or CAS numbers, company information, and other data. Registration is required. Viewable in English or German.

ChemExper offers a free service to locate a chemical by molecular formula, IUPAC name, common name, CAS number, catalog number, substructure, or physical characteristics. The database includes over 70,000 chemicals, 16,000 MSDS, 5,000 IR spectra, and 20 suppliers.

World's largest chemical database repository. A division of the American Chemical Society. Requires paid subscription.

Extensive databases include general chemicals, drugs, and environmental hazards. Visualization of structures requires Chime plug-in. From Specialized Information Services, US National Library of Medicine.

List includes nylon, polypropylene, and PVDF. From Eldon James, Corp.

Requires chemical structure plug-ins for visualization. From University of Oxford.

Solubilities, reduction potentials, gas densities.

With additional information on theobromine and theophylline.

A search engine for environmental chemical databases. From Kristina Voigt and Joachim Benz.

Plots of reflectance spectra and descriptive data for minerals. From the US Geological Survey.

Tables and calculations involving vapor-liquid equilibria. From Shuzo Ohe, Science University of Japan.

The Anti-cancer Agent Mechanism Database is a set of 122 compounds with anti-cancer activity and reasonably well-known mechanisms. Chemical MIME is necessary for use.

Lists of CAS numbers of dyes, stains, indicators, and some other reagents.

Proteomics gateway to protein and enzyme databases, homology searches, and structural predictions. From the Swiss Institute of Bioinformatics.

Chemical information pertaining to foods: analytical techniques, nutritive values, sugar, vitamin, and trans fatty acid content, etc. From the US Department of Agriculture.

Search for information on traditional and modern herbal preparations and publications relating to their medicinal uses. From the Alternative Medicine Foundation.

Search for information about some small molecules present in the Protein Data Bank (PDB). From Gerard J. Kleywegt, Uppsala University.

Publishers of Current Contents and the Web of Science. Requires paid subscription.

Search for biological compounds, enzymes, metabolic pathways, and chromosomes. From Kyoto University.

Data tables include information on atomic masses, half-life, isotopes, and radioactive decay products. From Lunds Universitet.

Chemistry, characteristics, and identification of minerals. From Amethyst Galleries.

Visible, infrared, and Raman spectra of minerals. From George R. Rossman, California Institute of Technology.

Information concerning Material Safety Data Sheets including databases, manufacturers, and software.

Display data by energy level or wavelength. From the National Institutes of Standards and Technology.

A very complete standard reference database. Also see their Reference on Constants, Units, and Uncertainty.

Searchable database for chemometrics publications and information. From Rasmus Bro, The Royal Veterinary and Agricultural University, Denmark.

Search on molecular weight, melting point, empirical formulas, etc.

Female moth pheromones that attract male moths.

SI units, atomic weights, ground states, atomic spectra, nuclear physics data. From National Institute of Standards and Technology.

Search for recurrent structural motifs in your protein of interest. From University College London.

Critical temperatures and pressures of hundreds of gases. From Flexware.

Protein mass spectrometry analysis site. Includes chemical properties of amino acids and peptides, and ability to search protein databases. From Rockefeller University.

Trade names, generic names, properties, and uses. From the American Fiber Manufacturers Association.

Research Collaboratory for Structural Bioinformatics archives protein structure data generated from X-ray crystallography and nuclear magnetic resonance.

Tables include densities, refractive indices, and plasticizer compatabilities. From Scientific Polymer Products.

Software for many makes and models of mass spectrometers. Includes wealth of mass spectroscopy information and references including resins used for packing columns, exact mass calculators, supplies, and equipment.

Discerning evolutionary relationships of protein by similarities in their structures. From Cambridge University.

Search for profiles on mass-produced chemicals in the US, and receive a wealth of information concerning toxicity and regulations. From the Environmental Defense Fund.

Search their database for properties of available compounds.

Compounds, properties, structures, and their smells.

Detailed solvent database from National Center for Manufacturing Sciences.

Includes mass spectra, NMR, and IR spectra of organic compounds.

Collection of chemistry, biotechnology, and thermodynamics databases. From the National Institute of Standards and Technology.

Glues recommended for bonding one surface to another.

Keyword search finds data on domestic and foreign mineral production and consumption. From the US Geological Survey.

From US Patent and Trademark Office. Patent information from 1976 to present is available.

Java images of molecular structures. From Ilkka Roininen.

This is a collection of the chemistry features written for About Chemistry in 2006. Learn how mood rings work, how to make smoke bombs, make a sparkler, and grow your own crystal geode.

Chemical or scientific names are used to give an accurate description of a substance's composition. This is a comprehensive list of chemical names of common household chemicals and other materials.