4-Methyl-3,5-dinitrobenzoic acid

CAS Registry Number®

16533-71-4
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CAS Name

4-Methyl-3,5-dinitrobenzoic acid

Molecular Formula

C8H6N2O6

Molecular Mass

226.14

Cite this Page

4-Methyl-3,5-dinitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=16533-71-4 (retrieved 2024-04-20) (CAS RN: 16533-71-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)

InChIKey

InChIKey=LZWWZQXBKVZKIP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C(=C(C1)N(=O)=O)C)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-methyl-3,5-dinitro-
  • p-Toluic acid, 3,5-dinitro-
  • 4-Methyl-3,5-dinitrobenzoic acid
  • 3,5-Dinitro-p-toluic acid
  • 3,5-Dinitro-4-toluic acid

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