Subject Guides: Chemistry: Compound Data

Find Compound Data

ChemSpider
ChemSpider is a free chemical structure database providing fast text and structure search access to over 26 million structures from hundreds of data sources.

Combined Chemical Dictionary
Includes descriptive and numerical data on chemical, physical and biological properties of compounds; systematic and common names of compounds; literature references; structure diagrams and their associated connection tables. Contains all those compounds published in: Dictionary of organic compounds (200,000 records), Dictionary of natural products (120,000 records), Dictionary of inorganic and organometallic compounds (90,000 records), Dictionary of pharmacological agents (30,000 records), Dictionary of analytical reagents (14,000 records).
CRC Handbook of Chemistry and Physics
Provides wide coverage of data on properties of inorganic and organic compounds.

Enhanced NCI Database Browser
250,251 open structures ready for searching.
Finding Physical & Chemical Properties
Find physical and chemical properties by type of property.
Infotherm
Database of thermophysical properties.
International Critical Tables of Numerical Data, Physics, Chemistry & Technology
This classic and well-known reference was originally published from 1926 - 1930 for the National Research Council in 7 volumes. It contains an enormous amount of critical data on inorganic and organic compounds, and pure substances. Featuring physical, thermodynamic, mechanical, and other key properties, it is a major reference source used by those involved in chemistry, physics, and engineering.
Knovel Critical Tables
This new 2nd Edition has been updated with over 40 new interactive tables which include new tables covering 503 Heat Capacity and Thermal Conductivity, 3,133 Reaction Thermodynamics and Equilibrium Constants, 854 Density and Compressibility, 13,332 Vaporization and Vapor Pressure, 185 Thermal Expansion, 377 Transport and Flow, and 1902 Electrical Properties data.

Merck Index Online
An authoritative and reliable source of information on chemicals, drugs and biologicals, the Merck Index* Online offers the same highly authoritative information as the print edition in a convenient and easily searchable full text database. It contains over 11,500 monographs – including historic records not available in the print edition. The Merck Index* Online will be updated regularly with accurate information curated by experts.

NIST Chemisty WebBook
This site provides thermochemical, thermophysical, and ion energetics data compiled by NIST under the Standard Reference Data Program.
NIST Physical Reference Data
This site contains links to the NIST collections of physical data which are available over the web, plus a catalog of other NIST data collections.
Organic Compounds Database
This 2483 compound database has been compiled by Harold M. Bell at Virginia Tech for searching organic compounds by physical data.

Pharmaceutical Substances
Pharmaceutical Substances is designed to be a complete reference guide to every pharmaceutical compound of significance. It provides a compendium of some 2,600 active pharmaceutical ingredients (API's) of interest to the chemical and pharmaceutical industries. Note: There is a known problem with the Structure Query. More info here.

PubChem
Search bioassay records using terms from the bioassay description. Links to active compounds & bioassay results are provided. Search unique checmical structures using names, synonyms or keywords. Links to available biological property information are provided for each compound. Search deposited chemical substance records using names, synonyms or keywords. Links to biological property information and depositor web sites are provided.

Reaxys
Reaxys is a unique web-based chemistry database consisting of deeply excerpted compounds and related factual properties, reaction and synthesis information as well as bibliographic data, navigated and displayed via an actionable interface. Use it to access the combined wealth of trustworthy, experimental substance and reaction data and bibliographic data housed in the Beilstein, Gmelin and Patent Chemistry Databases.
Sax’s Dangerous Properties of Industrial Materials
Sax’s Dangerous Properties contains extensive data on approximately 28,000 substances, including 2,400 new entries. Each entry includes a DPIM code, hazard rating, entry name, CAS number, DOT number, molecular formula, molecular weight, line structural formula, description of material and physical properties, and synonyms. The book also contains Immediately Dangerous to Life or Health (IDLH) levels for approximately 1,000 chemicals. It also covers exposure-level classifications for a number of regulatory agencies, from OSHA to the U.S. Department of Transportation.

Sigma-Aldrich
This is a commerical website that sells biochemical and organic chemical products, but it also provides some useful information about the compounds they sell.
Spectral Database for Organic Compounds (SDBS)
This is a free site organized by National Institute of Advanced Industrial Science and Technology (AIST), Japan.

SpringerMaterials
SpringerMaterials is the largest resource for properties, figures and graphs in materials science, with over 500,000 online documents covering 3,000 properties across 250,000 materials and chemical systems.

ThermoDex
ThermoDex contains records for selected printed and web-based compilations of thermochemical and thermophysical data for chemical compounds and other substances.
ThermoLit
NIST Literature Report Builder for Thermophysical and Thermochemical Property Measurements

Web Thermo Tables Professional Edition
This web application provides access to a collection of critically evaluated thermodynamic property data for pure compounds with a primary focus on organics.

X-Ray Properties of the Elements

SciFinder

SciFinder gives you instant access to the world's largest curated collection of information on disclosed chemistry and related research produced by CAS. SciFinder allows you to search Chemical Abstracts & MEDLINE by author and topic. SciFinder is available to University of Iowa faculty, staff & students only.

Please Note: Due to changes in Java security settings, the SciFinder Java structure editor will NOT work when accessing SciFinder through the Libraries' proxy server. It will work if you access SciFinder on-campus or through remote access. Please contact the Sciences Library at 335-3024 or lib-sciences@uiowa.edu if you need assistance.

SciFinder Registration
We have moved to the web version of SciFinder. You must register to continue to use SciFinder. You must be on campus and use your University of Iowa email address (@uiowa.edu) to register. After you submit your registration form, CAS will send you an e-mail with instructions for completing the registration process. This email should arrive within 30 minutes, if not, check your spam folder.
Access SciFinder
SciFinder Support & Training
SciFinder File Conversion Tool
Use this tool to convert SciFinder client files (.sfr) to the new web format (.akx).

Environmental & Health Information

Everything Added to Food in the United States
The EAFUS list of substances contains ingredients added directly to food that FDA has either approved as food additives or listed or affirmed as GRAS (Generally Recognized As Safe).
Hazardous Substances Data Bank (HSDB)
Comprehensive, peer-reviewed toxicology data for about 5,000 chemicals.
Household Products Database
What's under your kitchen sink, in your garage, in your bathroom, and on the shelves in your laundry room?
Learn more about what's in these products, about potential health effects, and about safety and handling.
TOXNET
Databases on toxicology, hazardous chemicals, environmental health, and toxic releases.

Material Safety Data Sheets

SIRI MSDS Index
One of the best general sites to start a search. Either select a letter A-Z to browse manufacturers alphabetically (for sheets not in the SIRI collection) or do a full-text keyword search in the SIRI MSDS database. Mostly OSHA-style sheets,all in text file format. Lots of additional safety links and info.

The University of Iowa Libraries

Sciences Library

Chemistry: Compound Data

Find Compound Data

SciFinder

Environmental & Health Information

Material Safety Data Sheets