2-Chloro-4-(methylsulfonyl)benzoic acid

CAS Registry Number®

53250-83-2

CAS Name

2-Chloro-4-(methylsulfonyl)benzoic acid

Molecular Formula

C8H7ClO4S

Molecular Mass

234.66

Cite this Page

2-Chloro-4-(methylsulfonyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53250-83-2 (retrieved 2024-11-24) (CAS RN: 53250-83-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-195 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

InChIKey

InChIKey=CTTWSFIIFMWHLQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CC=C(C=C1Cl)S(=O)(=O)C

Other Names for this Substance

  • Benzoic acid, 2-chloro-4-(methylsulfonyl)-
  • 2-Chloro-4-(methylsulfonyl)benzoic acid