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

CAS Registry Number®

1671-49-4
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CAS Name

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

Molecular Formula

C8H9NO4S

Molecular Mass

215.23

Cite this Page

1-Methyl-4-(methylsulfonyl)-2-nitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1671-49-4 (retrieved 2024-04-30) (CAS RN: 1671-49-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118-121 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H9NO4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3

InChIKey

InChIKey=OXBDLEXAVKAJFD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro-
  • Sulfone, methyl 3-nitro-p-tolyl
  • 1-Methyl-4-(methylsulfonyl)-2-nitrobenzene
  • 4-Methylsulfonyl-2-nitrotoluene
  • 1-Methyl-4-methylsulfonyl-2-nitrobenzene

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