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Substance Name: 3,5-Dinitrobenzoyl chloride
RN: 99-33-2
UNII: 5JFA2DVM4D
InChIKey: NNOHXABAQAGKRZ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H3-Cl-N2-O5

Molecular Weight

  • 230.563
 
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Names and Synonyms

Name of Substance

  • 3,5-Dinitrobenzoyl chloride

Synonyms

  • 3,5-Dinitrobenzoic acid chloride
  • 3,5-Dinitrobenzoyl chloride
  • 4-09-00-01350 (Beilstein Handbook Reference)
  • AI3-08895
  • BRN 0990249
  • CCRIS 3137
  • EINECS 202-750-6
  • NSC 2697
  • UNII-5JFA2DVM4D

Systematic Names

  • 3,5-Dinitrobenzoyl chloride
  • Benzoyl chloride, 3,5-dinitro-

Registry Numbers

CAS Registry Number

  • 99-33-2

FDA UNII

  • 5JFA2DVM4D

System Generated Number

  • 0000099332

Structure Descriptors

InChI

1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H

InChIKey

NNOHXABAQAGKRZ-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 74 deg C   EXP
log P (octanol-water) 1.070 (none)   EST
Atmospheric OH Rate Constant 6.27E-15 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.