2-[(Difluoromethyl)sulfonyl]benzoic acid

CAS Registry Number®

79676-58-7

CAS Name

2-[(Difluoromethyl)sulfonyl]benzoic acid

Molecular Formula

C8H6F2O4S

Molecular Mass

236.19

Cite this Page

2-[(Difluoromethyl)sulfonyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=79676-58-7 (retrieved 2024-12-19) (CAS RN: 79676-58-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    139-140 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C8H6F2O4S/c9-8(10)15(13,14)6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)

InChIKey

InChIKey=XLEBSMWWVRWRTM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=CC=CC1S(=O)(=O)C(F)F

Other Names for this Substance

  • Benzoic acid, 2-[(difluoromethyl)sulfonyl]-
  • 2-[(Difluoromethyl)sulfonyl]benzoic acid
  • 2-Difluoromethanesulfonylbenzoic acid

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