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Substance Name: 1,4-Benzenediamine, N-(4-nitrophenyl)-
RN: 6149-34-4
InChIKey: XHVFCOOFJKCIAP-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H11-N3-O2

Molecular Weight

  • 229.238
 
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Names and Synonyms

Synonyms

  • 4-13-00-00113 (Beilstein Handbook Reference)
  • 4-Nitro-4'-aminodiphenylamine
  • BRN 2216588
  • CCRIS 5170
  • N-(4-Nitrophenyl)-1,4-benzenediamine

Systematic Names

  • 1,4-Benzenediamine, N-(4-nitrophenyl)-
  • 4-Amino-N-(4-nitrophenyl)benzenamine

Registry Numbers

CAS Registry Number

  • 6149-34-4

System Generated Number

  • 0006149344

Structure Descriptors

InChI

1S/C12H11N3O2/c13-9-1-3-10(4-2-9)14-11-5-7-12(8-6-11)15(16)17/h1-8,14H,13H2

InChIKey

XHVFCOOFJKCIAP-UHFFFAOYSA-N

Smiles

c1(Nc2ccc(N)cc2)ccc([N+](=O)[O-])cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.38 (none) 25 EXP
log P (octanol-water) 2.220 (none)   EST
Water Solubility 391 mg/L 25 EST
Vapor Pressure 6.89E-07 mm Hg 25 EST
Henry's Law Constant 1.46E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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