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Substance Name: 3,5-Dinitroaniline
RN: 618-87-1
UNII: 0AHR6K1N73
InChIKey: MPBZUKLDHPOCLS-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H5-N3-O4

Molecular Weight

  • 183.122
 
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Names and Synonyms

Name of Substance

  • 3,5-Dinitroaniline

Synonyms

  • 3,5-Dinitroaniline
  • 4-12-00-01729 (Beilstein Handbook Reference)
  • BRN 0648811
  • CCRIS 3109
  • EINECS 210-567-8
  • NSC 284
  • UNII-0AHR6K1N73

Systematic Names

  • 3,5-Dinitroaniline
  • Aniline, 3,5-dinitro-
  • Benzenamine, 3,5-dinitro-
  • Benzenamine, 3,5-dinitro- (9CI)

Registry Numbers

CAS Registry Number

  • 618-87-1

FDA UNII

  • 0AHR6K1N73

System Generated Number

  • 0000618871

Structure Descriptors

InChI

1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2

InChIKey

MPBZUKLDHPOCLS-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163 deg C   EXP
pKa Dissociation Constant 0.298 (none) 15 EXP
log P (octanol-water) 1.89 (none)   EXP
Water Solubility 1290 mg/L 25 EST
Vapor Pressure 2.68E-05 mm Hg 25 EST
Henry's Law Constant 2.96E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.22E-13 cm3/molecule-sec 25 EST

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