3,4-Dinitrobenzoic acid

CAS Registry Number®

528-45-0

CAS Name

3,4-Dinitrobenzoic acid

Molecular Formula

C7H4N2O6

Molecular Mass

212.12

Cite this Page

3,4-Dinitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=528-45-0 (retrieved 2024-11-22) (CAS RN: 528-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)

InChIKey

InChIKey=OMVRRHJJQILIJX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,4-dinitro-
  • 3,4-Dinitrobenzoic acid
  • NSC 60713

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