2,4-Dichloro-3,5-dinitrobenzoic acid

CAS Registry Number®

52729-03-0

CAS Name

2,4-Dichloro-3,5-dinitrobenzoic acid

Molecular Formula

C7H2Cl2N2O6

Molecular Mass

281.01

Cite this Page

2,4-Dichloro-3,5-dinitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52729-03-0 (retrieved 2024-11-24) (CAS RN: 52729-03-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-211 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H2Cl2N2O6/c8-4-2(7(12)13)1-3(10(14)15)5(9)6(4)11(16)17/h1H,(H,12,13)

InChIKey

InChIKey=OCJYCLPVZHBZRL-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(Cl)C(C(O)=O)=CC(N(=O)=O)=C1Cl

Canonical SMILES

O=C(O)C=1C=C(C(Cl)=C(C1Cl)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2,4-dichloro-3,5-dinitro-
  • 2,4-Dichloro-3,5-dinitrobenzoic acid
  • NSC 76602

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