2-Bromo-3,5-dinitrobenzoic acid

CAS Registry Number®

116529-60-3

CAS Name

2-Bromo-3,5-dinitrobenzoic acid

Molecular Formula

C7H3BrN2O6

Molecular Mass

291.01

Cite this Page

2-Bromo-3,5-dinitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116529-60-3 (retrieved 2024-11-24) (CAS RN: 116529-60-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H3BrN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)

InChIKey

InChIKey=BBKJKUFARRJPRP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C=C(C1Br)N(=O)=O)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-bromo-3,5-dinitro-
  • 2-Bromo-3,5-dinitrobenzoic acid

CAS INSIGHTSTM
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