Research Guides: Chemistry: Data

Data

Databases that include chemical data, properties and safety information are numerous.

Check out essential chemistry databases and safety information on our Chemicals / Drugs and Safety pages and consider the resources below for more information.

CRC Handbook of Chemistry and Physics by John Rumble (Editor)
Call Number: Current print edition (2022/23) on Reserve, older edition in the stacks FL5 QD 65 C498.
Publication Date: 2022/2023
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals by Carl L. Yaws
Call Number: Read Online
Publication Date: 2015

ChEMBL
A database of bioactive drug-like small molecules. includes 2D line structures, properties, and bioactivities.
ChemSynthesis
An accessible database of over 40,000 compounds and more than 45,000 synthesis references.
figshare
A free to access multidisciplinary repository
MassBank
A public repository of high resolution mass spectral data for life sciences, particularly small chemical compounds.
MatWeb
Online materials information resource
NIST Chemistry WebBook
Covers chemical and physical properties, including chemical structure, spectra, and phase change data. Can be searched by chemical species or related data.
NMRShiftDB
NMR web database. Covers organic structures and their nuclear magnetic resonance
Organic Chemistry Portal
Organic Syntheses
Sigma Aldrich Catalog (MilliporeSigma)
SpectraBase
ChemSpider