Chemistry information resources: Facts & data

Finding and using chemical information

  • Chemical information for chemists: a primer [online or print]
  • Chemical information mining: facilitating literature-based discovery [online]
  • IUPAC FAIR Chemistry Cookbook [online]

General chemistry handbooks

  • CRC handbook of chemistry and physics [online or print]
  • IUPAC Color Books (chemical nomenclature, terminology, and symbols) [online]
  • IUPAC-NIST Solubility Database [online]
  • Handbook of basic tables for chemical analysis [online]
  • Handbook of porous materials : Synthesis, properties, modeling and key applications [online]
  • International tables for crystallography [online]
    • Volume A: Space-group symmetry
    • Volume A1: Symmetry relations between space groups
    • Volume B: Reciprocal space
    • Volume C: Mathematical, physical and chemical tables
    • Volume D: Physical properties of crystals
    • Volume E: Subperiodic groups
    • Volume F: Crystallography of biological macromolecules
    • Volume G: Definition and exchange of crystallographic data
    • Volume H: Powder diffraction
    • Volume I: X-ray absorption spectroscopy and related techniques
  • Knovel critical tables [online]
  • Lange's handbook of chemistry [online]
  • Merck index: an encyclopedia of chemicals, drugs, and biologicals [online or print]
  • NIST Chemistry WebBook [online] - Thermochemical, spectral, chromatographic, thermosphysical, and energetic data from the US National Institute of Standards and Technology.
  • NIST Physical Reference Data [online] - Physical constants, elemental, spectroscopic, nuclear physics, radiation, condensed matter, x-ray and gamma-ray data.
  • Perry's chemical engineers' handbook [online]
  • PubChem - collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more [online]

Organic & organometallic chemical data

Databases

Books

  • CRC handbook of data on organic compounds [print]
  • Guide to Spectroscopic Identification of Organic Compounds [online]
  • Handbook of organic chemistry [print]
  • Handbook of porphyrin science [online/print]:
View by volume
  • Names, synonyms, and structures of organic compounds [print]
  • Organic chemist's desk reference [online]
  • Physico-chemical constants of pure organic compounds [print]
  • Porphyrin handbook: Volumes 1-10 [print] Volumes 11-20 [print]
  • Systematic identification of organic compounds [print]

Inorganic chemical data

Databases

Books

  • CRC handbook series in inorganic electrochemistry, v.1-8 [print]
  • Handbook of inorganic compounds [online or print]
  • Inorganic materials chemistry desk reference [online]

Reactions and reaction mechanisms

  • Comprehensive organic functional group transformations II [online or print]
  • Handbook of organic analytical reagents [online]
  • How to solve organic reaction mechanisms: a stepwise approach [online]
  • Inorganic/bioinorganic reaction mechanisms [online]
  • Inorganic reaction mechanisms [online]
  • Inorganic reactions and methods [online or print]
  • Name reactions: a collection of detailed reaction mechanisms [online]
  • Name reactions and reagents in organic synthesis [print]
  • Named organic reactions [online or print]
  • Organic reaction mechanisms [print]
  • Preparative inorganic reactions [print]
  • Reaction kinetics: an introduction [online]

Synthesis

 

Databases

Books & Websites

  • Compendium of organic synthetic methods [print]
  • Comprehensive organic synthesis: selectivity, strategy & efficiency in modern organic chemistry [print]
  • Encyclopedia of reagents for organic synthesis [print]
  • Essential reagents for organic synthesis [online]
  • Inorganic syntheses [online or print]
  • Organic syntheses: a publication of reliable methods for the preparation of organic compounds [online]
  • Theilheimer's synthetic methods of organic chemistry [print]
  • Total synthesis of natural products [online or print]

Diffraction

Databases

Spectra

Databases

Books

  • Aldrich library of 13C and 1H FT NMR spectra [print]
  • Aldrich library of FT-IR spectra [print]
  • Atlas of carbon-13 NMR data [print]
  • Atlas of spectral data and physical constants for organic compounds [print]
  • CRC handbook of chromatography [print]
  • CRC handbook of chemistry and physics [online]
  • CRC Handbook of Fundamental Spectroscopic Correlation Charts [online]
  • Handbook of NMR spectral parameters [print]
  • Handbook of organic compounds: NIR, IR, Raman, and UV-Vis spectra featuring polymers and surfactants [print]
  • Handbook of spectroscopy [print]
  • Handbook of ultraviolet and visible absorption spectra of organic compounds [print]
  • Infrared and Raman spectra of inorganic and coordination compounds [online]
  • Infrared band handbook [print]
  • Organic electronic spectral data [print]
  • Organic structures from spectra [online]
  • Spectrometric identification of organic compounds [print]
  • Structure determination by spectroscopic methods: a practical approach [online]
  • Structure determination of organic compounds: tables of spectral data [online]
  • Tabulation of infrared spectral data [print]
  • UV atlas of organic compounds [print]