Searching for Information on Chemical and Materials
Here are some free databases if you're looking for information about chemicals or materials, including crystal structures, spectra, and physical properties. Some may include associated journal article references.
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.
Properties database with data sheets for 180,000+ engineering materials: metals, polymers, ceramics, composites, and more. Free to search and use, with an option to register for added functionality.
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.). The other search options are paywalled.
Open access collection of crystal structures from organics, organometallics, inorganics, and minerals - +390,000 entries. Structures can be viewed in JSmol and downloaded (.cif).
Annual collection of "detailed, reliable, and carefully checked procedures" for synthesizing organic compounds. Each detailed procedure was repeated and "carefully checked" for reproducibility. Articles include notes, photographs, literature references, and safety information. Articles can be searched by text/author, and structure or substructure.
Sample content: Ugi Multicomponent Reaction; Asymmetric Michael Reaction of Aldehydes and Nitroalkenes; α-Oxamination of Amides via Electrophilic Activation; Syntheses of Substituted 2-Cyano-benzothiazoles; Photoexcited Nitroarenes for the Anaerobic Cleavage of Alkenes; Preparation of Cyclobutenone; Synthesis of a Phosphorous Sulfur Incorporating Reagent for the Enantioselective Synthesis of Thiophosphates
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.]
