4-Methyl-3-nitrobenzenesulfonic acid

CAS Registry Number®

97-06-3
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CAS Name

4-Methyl-3-nitrobenzenesulfonic acid

Molecular Formula

C7H7NO5S

Molecular Mass

217.20

Cite this Page

4-Methyl-3-nitrobenzenesulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97-06-3 (retrieved 2024-09-20) (CAS RN: 97-06-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120-121 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=GJYYWZTYFNSZRP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenesulfonic acid, 4-methyl-3-nitro-
  • p-Toluenesulfonic acid, 3-nitro-
  • 4-Methyl-3-nitrobenzenesulfonic acid
  • 2-Nitrotoluene-4-sulfonic acid
  • 1-Methyl-2-nitrobenzene-4-sulfonic acid

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