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Substance Name: 2,6-Dinitroaniline
RN: 606-22-4
UNII: 8W27G0QBD7
InChIKey: QFUSCYRJMXLNRB-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

  • 2,6-Dinitroaniline

Synonyms

  • 2,6-Dinitroaniline
  • 2,6-Dinitrobenzenamine
  • 4-12-00-01729 (Beilstein Handbook Reference)
  • AI3-52363
  • BRN 2214886
  • CCRIS 3108
  • EINECS 210-108-1
  • NCI-C60753
  • NSC 93399
  • UNII-8W27G0QBD7

Systematic Names

  • 2,6-Dinitroaniline
  • Aniline, 2,6-dinitro-
  • Benzenamine, 2,6-dinitro- (9CI)

Registry Numbers

CAS Registry Number

  • 606-22-4

FDA UNII

  • 8W27G0QBD7

System Generated Number

  • 0000606224

Structure Descriptors

InChI

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

InChIKey

QFUSCYRJMXLNRB-UHFFFAOYSA-N

Smiles

Nc1c([N+]([O-])=O)cccc1[N+]([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03363,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 141.5 deg C   EXP
pKa Dissociation Constant -5.00E+00 (none)   EXP
log P (octanol-water) 1.79 (none)   EXP
Water Solubility 1570 mg/L 25 EST
Vapor Pressure 2.68E-05 mm Hg 25 EST
Henry's Law Constant 1.75E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-12 cm3/molecule-sec 25 EST

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