2-(Phenylthio)-5-(trifluoromethyl)benzoic acid

CAS Registry Number®

52548-96-6
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CAS Name

2-(Phenylthio)-5-(trifluoromethyl)benzoic acid

Molecular Formula

C14H9F3O2S

Molecular Mass

298.28

Cite this Page

2-(Phenylthio)-5-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52548-96-6 (retrieved 2024-05-05) (CAS RN: 52548-96-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-169 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C14H9F3O2S/c15-14(16,17)9-6-7-12(11(8-9)13(18)19)20-10-4-2-1-3-5-10/h1-8H,(H,18,19)

InChIKey

InChIKey=QTOLCTUWRPDFOF-UHFFFAOYSA-N

SMILES

S(C1=C(C(O)=O)C=C(C(F)(F)F)C=C1)C2=CC=CC=C2

Canonical SMILES

O=C(O)C1=CC(=CC=C1SC=2C=CC=CC2)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 2-(phenylthio)-5-(trifluoromethyl)-
  • 2-(Phenylthio)-5-(trifluoromethyl)benzoic acid
  • 2-(Phenylsulfanyl)-5-(trifluoromethyl)benzoic acid
  • 2-Phenylsulfanyl-5-trifluoromethyl-benzoic acid

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