2-(Trifluoromethyl)benzoic acid

CAS Registry Number®

433-97-6

CAS Name

2-(Trifluoromethyl)benzoic acid

Molecular Formula

C8H5F3O2

Molecular Mass

190.12

Cite this Page

2-(Trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=433-97-6 (retrieved 2024-11-23) (CAS RN: 433-97-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    111 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

InChIKey

InChIKey=FBRJYBGLCHWYOE-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1=C(C(O)=O)C=CC=C1

Canonical SMILES

O=C(O)C=1C=CC=CC1C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 2-(trifluoromethyl)-
  • o-Toluic acid, α,α,α-trifluoro-
  • 2-(Trifluoromethyl)benzoic acid
  • α,α,α-Trifluoro-o-toluic acid
  • o-(Trifluoromethyl)benzoic acid

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