3-(Trifluoromethyl)benzoic acid

CAS Registry Number®

454-92-2
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CAS Name

3-(Trifluoromethyl)benzoic acid

Molecular Formula

C8H5F3O2

Molecular Mass

190.12

Cite this Page

3-(Trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=454-92-2 (retrieved 2024-04-28) (CAS RN: 454-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    238.5 °C

  • Melting Point (1)

    105.5 °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)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

InChIKey

InChIKey=FQXQBFUUVCDIRK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-(trifluoromethyl)-
  • m-Toluic acid, α,α,α-trifluoro-
  • 3-(Trifluoromethyl)benzoic acid
  • m-(Trifluoromethyl)benzoic acid
  • α,α,α-Trifluoro-m-toluic acid

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