5-Chloro-4-methyl-2-nitrobenzenesulfonic acid

CAS Registry Number®

6973-13-3

CAS Name

5-Chloro-4-methyl-2-nitrobenzenesulfonic acid

Molecular Formula

C7H6ClNO5S

Molecular Mass

251.64

Cite this Page

5-Chloro-4-methyl-2-nitrobenzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6973-13-3 (retrieved 2024-11-24) (CAS RN: 6973-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123-128 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=JTZLIGVBEAGAFZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C=1C=C(C(Cl)=CC1S(=O)(=O)O)C

Other Names for this Substance

  • Benzenesulfonic acid, 5-chloro-4-methyl-2-nitro-
  • 5-Chloro-4-methyl-2-nitrobenzenesulfonic acid
  • 2-Chloro-5-nitrotoluene-4-sulfonic acid
  • NSC 36951
  • 6-Chloro-3-nitrotoluene-4-sulfonic acid

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