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Freely Available Databases for Chemical Information, Including Crystal Structures, Spectra, and Physical Properties, with Literature References if Applicable
Open chemistry database of 96+ million compounds, with property and safety data coming from multiple data sources, including government agencies, R&D organizations, and chemical vendors.
Open community resource of chemical information on ~500,000 compounds from the CAS Registry, including common and frequently regulated chemicals, and those relevant to high school and undergraduate chemistry classes.
Free service to search for crystal structures, from the Cambridge Structural Database and Inorganic Crystal Structure Database. You can search by compound name, number or bibliographic information (author, etc.).
Open access collection of crystal structures from organics, organometallics, inorganics, and minerals - +390,000 entries. Structures can be viewed in JSmol and downloaded (.cif).
Crowd sourced data content containing hazardous reactions that can be used to alert scientists to potential dangerous experiments. From the Pistoia Alliance, with open access provided by CAS.
Free database of hundreds of thousands of spectra, including NMR, IR (including ATR-IR), Raman, UV-Vis, and Mass. [Free, but registration is required. Some ads as well.]
