4-[(Trifluoromethyl)thio]benzeneacetic acid

CAS Registry Number®

243977-23-3

CAS Name

4-[(Trifluoromethyl)thio]benzeneacetic acid

Molecular Formula

C9H7F3O2S

Molecular Mass

236.21

Cite this Page

4-[(Trifluoromethyl)thio]benzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=243977-23-3 (retrieved 2024-11-25) (CAS RN: 243977-23-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    116-117.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H7F3O2S/c10-9(11,12)15-7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

InChIKey

InChIKey=BFDKCZMYQOSTJG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC1=CC=C(SC(F)(F)F)C=C1

Other Names for this Substance

  • Benzeneacetic acid, 4-[(trifluoromethyl)thio]-
  • 4-[(Trifluoromethyl)thio]benzeneacetic acid
  • 4-(Trifluoromethylthio)phenylacetic acid
  • 4-(Trifluoromethylsulfanyl)phenylacetic acid
  • 2-[4-(Trifluoromethylthio)phenyl]acetic acid

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