2-Chloro-5-(methylsulfonyl)-1,3-dinitrobenzene

CAS Registry Number®

4726-15-2

CAS Name

2-Chloro-5-(methylsulfonyl)-1,3-dinitrobenzene

Molecular Formula

C7H5ClN2O6S

Molecular Mass

280.64

Cite this Page

2-Chloro-5-(methylsulfonyl)-1,3-dinitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4726-15-2 (retrieved 2024-11-22) (CAS RN: 4726-15-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201-203 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H5ClN2O6S/c1-17(15,16)4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3

InChIKey

InChIKey=XOXDOVDWSOCMQD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 2-chloro-5-(methylsulfonyl)-1,3-dinitro-
  • Sulfone, 4-chloro-3,5-dinitrophenyl methyl
  • 2-Chloro-5-(methylsulfonyl)-1,3-dinitrobenzene
  • 4-Chloro-3,5-dinitrophenyl methyl sulfone
  • 1-Chloro-4-(methylsulfonyl)-2,6-dinitrobenzene

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