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Substance Name: 4-Nitroazobenzene
RN: 2491-52-3
UNII: P8P9OZE3IH
InChIKey: TZTDJBMGPQLSLI-BUHFOSPRSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H9-N3-O2

Molecular Weight

  • 227.222
 
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Names and Synonyms

Name of Substance

  • 4-Nitroazobenzene

Synonyms

  • (4-Nitrophenyl)phenyldiazene
  • 4-Nitroazobenzene
  • AI3-08892
  • EINECS 219-656-6
  • NSC 16043
  • p-Nitroazobenzene
  • UNII-P8P9OZE3IH

Systematic Names

  • 4-Nitroazobenzene
  • Azobenzene, 4-nitro-
  • Diazene, (4-nitrophenyl)phenyl- (9CI)

Registry Numbers

CAS Registry Number

  • 2491-52-3

FDA UNII

  • P8P9OZE3IH

System Generated Number

  • 0002491523

Structure Descriptors

InChI

1S/C12H9N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H/b14-13+

InChIKey

TZTDJBMGPQLSLI-BUHFOSPRSA-N

Smiles

c1(\N=N\c2ccccc2)ccc([N+](=O)[O-])cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 132-134 deg C   EXP
pKa Dissociation Constant -3.47E+00 (none) 25 EXP
log P (octanol-water) 4.510 (none)   EST
Water Solubility 1.650 mg/L 25 EST
Vapor Pressure 1.17E-06 mm Hg 25 EXP
Henry's Law Constant 5.80E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.40E-13 cm3/molecule-sec 25 EST

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