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Substance Name: Benzidine dihydrochloride
RN: 531-85-1
UNII: LVU06XHC39
InChIKey: RUAXWVDEYJEWRY-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-N2.2Cl-H

Molecular Weight

  • 257.163
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 1
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Names and Synonyms

Results Name

  • Benzidine dihydrochloride

Name of Substance

  • Benzidine dihydrochloride

Synonyms

  • (1,1'-Biphenyl)-4,4'-diamine, dihydrochloride
  • Benzidine dihydrochloride
  • Benzidine HCl
  • Benzidine hydrochloride
  • CCRIS 1412
  • Dihidrocloruro de benzidina
  • Dihidrocloruro de benzidina [Spanish]
  • EINECS 208-519-6
  • NSC 3500
  • UNII-LVU06XHC39

Systematic Names

  • (1,1'-Biphenyl)-4,4'-diamine, dihydrochloride
  • (1,1'-Biphenyl)-4,4'-diamine, hydrochloride (1:2)
  • Benzidine dihydrochloride

Superlist Name

  • Benzidine dihydrochloride

Registry Numbers

CAS Registry Number

  • 531-85-1

FDA UNII

  • LVU06XHC39

Related Registry Number

  • 92-87-5 (Parent)

System Generated Number

  • 0000531851

Molecular Formulas

Molecular Formula

  • C12-H12-N2.2Cl-H

Molecular Formula Fragments

  • C12-H12-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H12N2.2ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;;/h1-8H,13-14H2;2*1H

InChIKey

RUAXWVDEYJEWRY-UHFFFAOYSA-N

Smiles

c1(c2ccc(N)cc2)ccc(N)cc1.Cl.Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.95 (none) 25 EXP
log P (octanol-water) 1.920 (none)   EST
Water Solubility 3770 mg/L 25 EST
Vapor Pressure 4.38E-06 mm Hg 25 EST
Henry's Law Constant 5.17E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-10 cm3/molecule-sec 25 EST

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