2-Methyl-5-nitrobenzenesulfonic acid

CAS Registry Number®

121-03-9

CAS Name

2-Methyl-5-nitrobenzenesulfonic acid

Molecular Formula

C7H7NO5S

Molecular Mass

217.20

Cite this Page

2-Methyl-5-nitrobenzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121-03-9 (retrieved 2024-11-22) (CAS RN: 121-03-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133.5 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)

InChIKey

InChIKey=ZDTXQHVBLWYPHS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenesulfonic acid, 2-methyl-5-nitro-
  • o-Toluenesulfonic acid, 5-nitro-
  • 2-Methyl-5-nitrobenzenesulfonic acid
  • p-Nitrotoluene-o-sulfonic acid
  • PNTOS

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CAS INSIGHTSTM
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