[(Nitromethyl)sulfonyl]benzene

CAS Registry Number®

21272-85-5
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CAS Name

[(Nitromethyl)sulfonyl]benzene

Molecular Formula

C7H7NO4S

Molecular Mass

201.20

Cite this Page

[(Nitromethyl)sulfonyl]benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=21272-85-5 (retrieved 2024-04-26) (CAS RN: 21272-85-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    122-123 °C

  • Melting Point (1)

    151 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

InChIKey=ADKLJTCVZHUANG-UHFFFAOYSA-N

SMILES

S(CN(=O)=O)(=O)(=O)C1=CC=CC=C1

Canonical SMILES

O=N(=O)CS(=O)(=O)C=1C=CC=CC1

Other Names for this Substance

  • Benzene, [(nitromethyl)sulfonyl]-
  • Sulfone, nitromethyl phenyl
  • [(Nitromethyl)sulfonyl]benzene
  • Nitromethyl phenyl sulfone
  • Phenylsulfonylnitromethane

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