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Substance Name: 4-Chloro-1,2-benzenediamine
RN: 95-83-0
UNII: 8E72QRZ33H
InChIKey: BXIXXXYDDJVHDL-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-Cl-N2

Molecular Weight

  • 142.5883
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
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Names and Synonyms

Name of Substance

  • 4-Chloro-1,2-benzenediamine
  • 4-Chloro-1,2-diaminobenzene

Synonyms

  • 1,2-Diamino-4-chlorobenzene
  • 2-Amino-4-chloroaniline
  • 3,4-Diamino-1-chlorobenzene
  • 3,4-Diaminochlorobenzene
  • 4-13-00-00068 (Beilstein Handbook Reference)
  • 4-Chloro-1,2-benzenediamine
  • 4-Chloro-1,2-diaminobenzene
  • 4-Chloro-1,2-phenylenediamine
  • 4-Chloro-o-phenylenediamine
  • 4-Cl-o-PD
  • BRN 0508472
  • C.I. 76015
  • CCRIS 144
  • CI 76015
  • EINECS 202-456-8
  • HSDB 5087
  • NCI-C03292
  • NSC 6157
  • p-Chloro-o-phenylenediamine
  • UNII-8E72QRZ33H
  • Ursol Olive 6G

Systematic Names

  • 1,2-Benzenediamine, 4-chloro-
  • 4-Chloro-o-phenylenediamine
  • o-Phenylenediamine, 4-chloro-

Superlist Names

  • 1,2-Benzenediamine, 4-chloro-
  • 4-Chloro-o-phenylenediamine

Registry Numbers

CAS Registry Number

  • 95-83-0

FDA UNII

  • 8E72QRZ33H

Related Registry Number

  • 68459-98-3 (sulfate[1:1])

System Generated Number

  • 0000095830

Structure Descriptors

InChI

1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

InChIKey

BXIXXXYDDJVHDL-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)Cl)N)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 76 deg C   EXP
Boiling Point 229.3 deg C   EXP
pKa Dissociation Constant 3.83 (none) 25 EXP
log P (octanol-water) 1.28 (none)   EXP
Water Solubility 6590 mg/L 25 EST
Vapor Pressure 2.06E-03 mm Hg 25 EST
Henry's Law Constant 4.99E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.24E-10 cm3/molecule-sec 25 EST

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