3-Chloro-4-methyl-5-nitrobenzenesulfonic acid

CAS Registry Number®

68189-28-6

CAS Name

3-Chloro-4-methyl-5-nitrobenzenesulfonic acid

Molecular Formula

C7H6ClNO5S

Molecular Mass

251.64

Cite this Page

3-Chloro-4-methyl-5-nitrobenzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68189-28-6 (retrieved 2024-11-22) (CAS RN: 68189-28-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H6ClNO5S/c1-4-6(8)2-5(15(12,13)14)3-7(4)9(10)11/h2-3H,1H3,(H,12,13,14)

InChIKey

InChIKey=PFQCWESEIXPRLI-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC(S(=O)(=O)O)=CC(Cl)=C1C

Canonical SMILES

O=N(=O)C1=CC(=CC(Cl)=C1C)S(=O)(=O)O

Other Names for this Substance

  • Benzenesulfonic acid, 3-chloro-4-methyl-5-nitro-
  • p-Toluenesulfonic acid, 3-chloro-5-nitro-
  • 3-Chloro-4-methyl-5-nitrobenzenesulfonic acid

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