3-Methyl-4-nitrobenzenesulfonyl chloride

CAS Registry Number®

78726-75-7

CAS Name

3-Methyl-4-nitrobenzenesulfonyl chloride

Molecular Formula

C7H6ClNO4S

Molecular Mass

235.64

Cite this Page

3-Methyl-4-nitrobenzenesulfonyl chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78726-75-7 (retrieved 2024-10-06) (CAS RN: 78726-75-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    142-148 °C @ Press: 1.6 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C7H6ClNO4S/c1-5-4-6(14(8,12)13)2-3-7(5)9(10)11/h2-4H,1H3

InChIKey

InChIKey=BSTFFQWSGXDOOL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenesulfonyl chloride, 3-methyl-4-nitro-
  • m-Toluenesulfonyl chloride, 4-nitro-
  • 3-Methyl-4-nitrobenzenesulfonyl chloride
  • 3-Methyl-4-nitrobenzene-1-sulfonyl chloride

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