2,6-Dinitrotoluene-4-sulfonic acid

CAS Registry Number®

88-90-4

CAS Name

2,6-Dinitrotoluene-4-sulfonic acid

Molecular Formula

C7H6N2O7S

Molecular Mass

262.20

Cite this Page

2,6-Dinitrotoluene-4-sulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88-90-4 (retrieved 2024-12-21) (CAS RN: 88-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H6N2O7S/c1-4-6(8(10)11)2-5(17(14,15)16)3-7(4)9(12)13/h2-3H,1H3,(H,14,15,16)

InChIKey

InChIKey=SWBCSBNHMVLMKP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenesulfonic acid, 4-methyl-3,5-dinitro-
  • p-Toluenesulfonic acid, 3,5-dinitro-
  • 4-Methyl-3,5-dinitrobenzenesulfonic acid
  • 3,5-Dinitro-p-toluenesulfonic acid
  • 3,5-Dinitro-4-methylbenzenesulfonic acid

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