2-[(Trifluoromethyl)thio]benzoic acid

CAS Registry Number®

37526-67-3

CAS Name

2-[(Trifluoromethyl)thio]benzoic acid

Molecular Formula

C8H5F3O2S

Molecular Mass

222.18

Cite this Page

2-[(Trifluoromethyl)thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37526-67-3 (retrieved 2024-11-22) (CAS RN: 37526-67-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124-125 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)

InChIKey

InChIKey=KYCFVGRNHSGPBJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=CC=CC1SC(F)(F)F

Other Names for this Substance

  • Benzoic acid, 2-[(trifluoromethyl)thio]-
  • 2-[(Trifluoromethyl)thio]benzoic acid
  • 2-(Trifluoromethylthio)benzoic acid
  • o-(Trifluoromethylthio)benzoic acid
  • 2-[(Trifluoromethyl)sulfanyl]benzoic acid

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