3-(Trifluoromethyl)benzoic acid

• Formula: C₈H₅F₃O₂
• Molecular weight: 190.1193
• IUPAC Standard InChI: InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) Copy

  
• IUPAC Standard InChIKey: FQXQBFUUVCDIRK-UHFFFAOYSA-N Copy
• CAS Registry Number: 454-92-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: α,α,α-Trifluoro-m-toluic acid; m-Trifluoromethylbenzoic acid; Benzoic acid, 3-(trifluoromethyl)-; m-Toluic acid, α,α,α-trifluoro-; Benzoic acid, trifluoromethyl-; m-Trifluorometylbenzoic acid
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• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Reduced pressure boiling point

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Simons and Ramler, 1943
Simons, J.H.; Ramler, E.O., Preparation and Properties of SOme New Trifluoromethyl Compounds, J. Am. Chem. Soc., 1943, 65, 389. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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