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Substance Name: 1,2-Dinitrobenzene
RN: 528-29-0
UNII: 35XUO924Y0
InChIKey: IZUKQUVSCNEFMJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H4-N2-O4

Molecular Weight

  • 168.108
 

Classification Codes

Classification Code

  • Mutation Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 100 lb
  • TWA (0.15 ppm); skin; BEI
  • TWA 1 mg/m3); skin

Names and Synonyms

Name of Substance

  • 1,2-Dinitrobenzene

Synonyms

  • 1,2-Dinitrobenzene
  • 1,2-Dinitrobenzol
  • AI3-15338
  • CCRIS 3091
  • EINECS 208-431-8
  • HSDB 4486
  • NSC 60682
  • o-Dinitrobenzene
  • UNII-35XUO924Y0

Systematic Names

  • 1,2-Dinitrobenzene
  • Benzene, 1,2-dinitro-
  • Benzene, 1,2-dinitro- (9CI)
  • Benzene, o-dinitro-
  • o-Dinitrobenzene

Superlist Names

  • Benzene, 1,2-dinitro-
  • Dinitrobenzene, all isomers
  • Dinitrobenzene, o-
  • o-Dinitrobenzene
  • o-Dinitrobenzene [UN1597] [Poison]
  • o-Dintrobenzene
  • UN1597

Registry Numbers

CAS Registry Number

  • 528-29-0

FDA UNII

  • 35XUO924Y0

System Generated Number

  • 0000528290

Structure Descriptors

InChI

1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H

InChIKey

IZUKQUVSCNEFMJ-UHFFFAOYSA-N

Smiles

c1(c(cccc1)[N+](=O)[O-])[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 118.5 deg C   EXP
Boiling Point 318 deg C   EXP
log P (octanol-water) 1.69 (none)   EXP
Water Solubility 133 mg/L 25 EXP
Henry's Law Constant 5.33E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.13E-14 cm3/molecule-sec 25 EST

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