Subject Guides: Product Design: Chemical data

Web Sources

BindingDB
A public database of measured binding affinities for biomolecules, genetically or chemically modified biomolecules, and synthetic compounds.
ChemIDPlus
Database of over 380,000 chemicals, synonyms, structures, regulatory list information, and links to other databases
NIST Chemistry WebBook
Provides thermochemical, thermophysical, and ion energetics data compiled by NIST under the Standard Reference Data Program.
NIST Data Gateway
Access to NIST scientific and technical data covering substances and properties from various scientific disciplines.
Quantum Chemistry Literature DataBase
Post-1978 papers dealing with ab initio calculations of atomic and molecular electronic structure. (Requires free registration.)
Spectral Database for Organic Compounds
An integrated spectral database system for organic compounds, which includes EI-MS, FT-IR, NMR, 13C NMR, laser Raman, and ESR spectra.
TOXNET
Databases on toxicology, hazardous chemicals, environmental health, and toxic releases.

Safety Data Sheets (SDS)

Safety data sheets (SDS) are designed to provide employers, workers and emergency personnel with the proper procedures for handling or working with substances. They usually include physical data (ingredients, melting, boiling and flash points), reactivity, toxicity, health effects, first aid and information for safe handling and storage.

ChemWatch
Material Safety Data Sheets — Available to UC staff and students on and off campus.
Merck (formerly Sigma-Aldrich)
Provides brief data, including MSDS and purchase information.
C&EN Safety Letters
Safety letters that have appeared in C&EN: Chemical & Engineering News since 1993, alphabetised by chemical.
ChemSpider
Database of chemical structures. Includes MSDS information.
Consumer Product Information Database
Links ingredients from over 22,000 consumer brands to potential health effects.
(Formerly hosted by the National Library of Medicine, USA, as the Household Products Database)
Environmental, Health and Safety Data Resources (Toxics Use Reduction Institute/TURI)
A guide to assist in researching environmental, health and safety information for chemicals
OHSAH SDS Database (Canada)
Focused on needs of healthcare agencies

PubChem This link opens in a new window
Database of substance information with links to research articles on small molecules (with fewer than 1000 atoms and 1000 bonds). Includes toxicology links.

Sax's dangerous properties of industrial materials
Handbook of hazardous substances (held in EPS Library)
The Sigma-Aldrich library of chemical safety data
Handbook of hazardous substances (held in EPS Library)
WorkSafe: Publications and resources
New Zealand Safety Data Sheets included for chemicals

Chemical Data

Ashford's dictionary of industrial chemicals : properties, production, uses
EPS Library QD 5 .A825
BRENDA : the comprehensive enzyme information system
ChemSpider
CRC handbook of chemistry and physics
EPS Library QD 65 .C0911
Lange's handbook of chemistry
EPS Library QD 65 .L274 2005
The Merck index :an encyclopedia of chemicals, drugs, and biologicals
EPS Library Reference RS 51 .M555 2001
Powder diffraction file : inorganic volume
EPS Library QD 945 .P881
Powder diffraction file :organic volume.
EPS Library QD 945 .P881
PubChem

SciFinderⁿ This link opens in a new window
Broad coverage of chemical literature and substance information, including biochemistry, pharmacy, pharmacology and chemical engineering. SciFinderⁿ also has PatentPak, MethodsNow, Retrosynthesis Planning and Biosequence Searching
NB: New users will need to register for a CAS account before using SciFinderⁿ for the first time.
Help/instructions on how to register (pdf)