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Substance Name: 4-Chloro-o-toluidine hydrochloride
RN: 3165-93-3
UNII: 1Y82DN556P
InChIKey: VKYZDCTWJGBFDW-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-Cl-N.Cl-H

Molecular Weight

  • 178.061
 

Classification Codes

Classification Codes

  • Chromogenic Compounds
  • Coloring Agents
  • Indicators and Reagents
  • Mutation Data
  • TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2A
  • Reasonably Anticipated to be a Carcinogen
  • Reportable Quantity (RQ) = 100 lb
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Names and Synonyms

Name of Substance

  • 4-Chloro-o-toluidine hydrochloride
  • p-Chloro-o-toluidine hydrochloride

Synonyms

  • 2-Amino-5-chlorotoluene hydrochloride
  • 2-Methyl-4-chloroaniline hydrochloride
  • 4-Chloro-2-methylaniline hydrochloride
  • 4-Chloro-2-methylbenzenamine hydrochloride
  • 4-Chloro-2-toluidine hydrochloride
  • 4-Chloro-6-methylaniline hydrochloride
  • 4-Chloro-o-toluidine HCl
  • 4-Chloro-o-toluidine hydrochloride
  • 5-Chloro-2-aminotoluene hydrochloride
  • Amarthol Fast Red TR
  • Asymmetric meta-chloro-ortho-toluidine hydrochloride
  • Azogene Fast Red TR
  • Azoic Diazo Component 11 Base
  • C.I. 37085
  • C.I. Azoic Diazo Component 11
  • CCRIS 153
  • Chlorhydrate de 4-chloroorthotoluidine
  • Chlorhydrate de 4-chloroorthotoluidine [French]
  • Chlorhydrate de chloro-4 o-toluidine
  • CI 37085
  • CI Azoic diazo component 11
  • Clorhidrato de 4-cloro-o-toluidine
  • Devol Red K
  • Devol Red TR
  • Diazo Fast Red TR
  • EINECS 221-627-8
  • HSDB 6191
  • Kromon Green B
  • NCI-C02368
  • Neutrosel Red TRVA
  • NSC 7629
  • RCRA waste number U049
  • UNII-1Y82DN556P

Systematic Names

  • 4-Chloro-o-toluidine hydrochloride
  • 4-Chloro-o-toluidinium chloride
  • Benzenamine, 4-chloro-2-methyl-, hydrochloride
  • Benzenamine, 4-chloro-2-methyl-, hydrochloride (1:1)
  • o-Toluidine, 4-chloro-, hydrochloride

Superlist Names

  • 4-Chloro-o-toluidine hydrochloride
  • 4-Chloro-o-toluidine hydrochloride [UN1579] [Poison]
  • Benzenamine, 4-chloro-2-methyl-, hydrochloride
  • p-Chloro-o-toluidine hydrochloride
  • p-Chloro-o-toluidine hydrochloride [p-Chloro-o-toluidine and its strong acid salts]
  • RCRA waste no. U049
  • UN1579

Registry Numbers

CAS Registry Number

  • 3165-93-3

FDA UNII

  • 1Y82DN556P

Related Registry Number

  • 95-69-2 (Parent)

System Generated Number

  • 0003165933

Molecular Formulas

Molecular Formula

  • C7-H8-Cl-N.Cl-H

Molecular Formula Fragments

  • C7-H8-Cl-N
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8ClN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H

InChIKey

VKYZDCTWJGBFDW-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)Cl)N)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg)   Progress Report for Contract No. NIH-NCI-E-68-1311, Submitted to the National Cancer Institut by Bio-Research Consultants, Inc. Vol. NCI-E-68-1311, Pg. 1973,
rat LD50 intraperitoneal 560mg/kg (560mg/kg)   Progress Report for Contract No. NIH-NCI-E-68-1311, Submitted to the National Cancer Institut by Bio-Research Consultants, Inc. Vol. NCI-E-68-1311, Pg. 1973,

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.848 (none) 25 EXP
log P (octanol-water) 2.270 (none)   EST
Water Solubility 954 mg/L 25 EST
Vapor Pressure 0.041 mm Hg 25 EST
Henry's Law Constant 1.56E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.87E-11 cm3/molecule-sec 25 EST

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