1-Chloro-2-(methylsulfonyl)-4-nitrobenzene

CAS Registry Number®

21081-74-3
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CAS Name

1-Chloro-2-(methylsulfonyl)-4-nitrobenzene

Molecular Formula

C7H6ClNO4S

Molecular Mass

235.64

Cite this Page

1-Chloro-2-(methylsulfonyl)-4-nitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21081-74-3 (retrieved 2024-06-26) (CAS RN: 21081-74-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171-173 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XYJJSLMPHYYITA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-chloro-2-(methylsulfonyl)-4-nitro-
  • Sulfone, 2-chloro-5-nitrophenyl methyl
  • 1-Chloro-2-(methylsulfonyl)-4-nitrobenzene
  • 1-Chloro-2-methanesulfonyl-4-nitro-benzene
  • 1-Chloro-2-methanesulfonyl-4-nitrobenzene