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Substance Name: 4-Chloro-m-phenylenediamine
RN: 5131-60-2
UNII: 46M6FQ5PJK
InChIKey: ZWUBBMDHSZDNTA-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-Cl-N2

Molecular Weight

  • 142.588
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 4-Chloro-3-phenylenediamine
  • 4-Chloro-m-phenylenediamine

Synonyms

  • 1,3-Benzenediamine, 4-chloro-
  • 1-Chloro-2,4-diaminobenzene
  • 4-13-00-00096 (Beilstein Handbook Reference)
  • 4-Chloro-1,3-benzenediamine
  • 4-Chloro-m-p.henylenediamine
  • 4-Chloro-m-phenylenediamine
  • 4-Chloro-meta-phenylenediamine
  • 4-Chlorophene-1,3-diamine
  • 4-Chlorophenylene-1,3-diamine
  • 4-Cl-m-PD
  • BRN 2081090
  • C.I. 76027
  • CCRIS 143
  • CI 76027
  • EINECS 225-877-9
  • HSDB 4059
  • m-Phenylenediamine, 4-chloro-
  • NCI-C03305
  • NSC 6074
  • p-Chlor-m-fenylendiamin
  • p-Chlor-m-fenylendiamin [Czech]
  • p-Chloro-m-phenylenediamine
  • UNII-46M6FQ5PJK

Systematic Names

  • 1,3-Benzenediamine, 4-chloro-
  • 4-Chloro-m-phenylenediamine
  • 4-Chlorobenzene-1,3-diamine
  • m-Phenylenediamine, 4-chloro-

Superlist Name

  • 4-Chloro-m-phenylenediamine

Registry Numbers

CAS Registry Number

  • 5131-60-2

FDA UNII

  • 46M6FQ5PJK

Related Registry Number

  • 68239-80-5 (sulfate)

System Generated Number

  • 0005131602

Structure Descriptors

InChI

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

InChIKey

ZWUBBMDHSZDNTA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 5gm/kg (5000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 7, Pg. 138, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.85 (none)   EXP
Water Solubility 1.54E+04 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 2.00E-10 cm3/molecule-sec 25 EST

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