The Cambridge Crystallographic Data Centre (CCDC) offers a selection of products and services free of charge for the benefit of the scientific community. Get information about a specific structure using CCDC number, publication DOI, or CSD refcode
"Mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems are presented. Typical solvents and solutes include water, sea water, heavy water, inorganic compounds, and a variety of organic compounds such as hydrocarbons, halogenated hydrocarbons, alcohols, acids, esters and nitrogen compounds. For many systems, sufficient data were available to allow critical evaluation. Data are expressed as mass and mole fractions as well as the originally reported units."
"A database containing solubilities originally published in the IUPAC (International Union for Pure and Applied Chemistry) - NIST Solubility Data Series is now available online."
"The NIST Chemical Kinetics Database includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these."
"This site provides thermochemical, thermophysical, and ion energetics data compiled by NIST under the Standard Reference Data Program."
Search types available include: formula, chemical name, CAS Registry Number, ionization energy, electron affinity, proton affinity, acidity, appearance energy product, vibrational energy, eletronic energy level, applet based structure, file based structure, structure class, molecular weight, reaction, author
"nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties."
"compiles information from several government agencies and organizations. Available database reports include: "Physical Properties," "Exposure Guidelines," "NIOSH Pocket Guide," and "Emergency Response Information," including the DOT Emergency Response Guide."
A cluster of databases on toxicology, hazardous chemicals and related areas.
- HSDB: Hazardous Substances Data Bank. Peer-reviewed toxicology data for over 5,000 hazardous chemicals
- TOXLINE: 4 million references to literature on biochemical, pharmacological, physiological, and toxicological effects of drugs and other chemicals
- ChemIDplus: Dictionary of over 400,000 chemicals (names, synonyms, and structures) Breastfeeding & Drugs
- LactMed: Drugs and Lactation Database. Drugs and other chemicals to which breastfeeding mothers may be exposed Developmental Toxicology Literature
- DART: Developmental and Reproductive Toxicology Database. References to developmental and reproductive toxicology literature Chemical Releases & Mapping
- TOXMAP: Environmental Health Maps provides searchable, interactive maps of EPA TRI and Superfund data, plus US Census and NCI health data
- TRI: Toxics Release Inventory. Annual environmental releases of over 600 toxic chemicals by U.S. facilities Genomics
- CTD: Comparative Toxicogenomics Database. Access to scientific data describing relationships between chemicals, genes and human diseases Household Product Safety
- Household Products Database: Potential health effects of chemicals in more than 10,000 common household products Occupational Exposure to Chemicals
- Haz-Map: Links jobs and hazardous tasks with occupational diseases and their symptoms Risk Assessment
- IRIS: Integrated Risk Information System. Hazard identification and dose-response assessment for over 500 chemicals
- ITER: International Toxicity Estimates for Risk. Risk information for over 600 chemicals from authoritative groups worldwide Animal Testing Alternatives
- ALTBIB: Resources on Alternatives to the Use of Live Vertebrates in Biomedical Research and Testing Archived, No Longer Updated
- CCRIS: Chemical Carcinogenesis Research Information System. Carcinogenicity and mutagenicity test results for over 8,000 chemicals
- CPDB: Carcinogenic Potency Database. Standardized analyses of the results of 6,540 chronic, long-term animal cancer tests
- GENE-TOX: Genetic Toxicology Data Bank. Peer-reviewed genetic toxicology test data for over 3,000 chemicals