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Substance Name: 3,3'-Dimethoxybenzidine-4,4'-diisocyanate
RN: 91-93-0
UNII: 5AC9L5Y28Y
InChIKey: QZWKEPYTBWZJJA-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-N2-O4

Molecular Weight

  • 296.2808
 

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

  • 3,3'-Dimethoxybenzidine-4,4'-diisocyanate

Synonyms

  • 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethoxy-
  • 3,3'-Dimethoxy-4,4'-biphenylene diisocyanate
  • 3,3'-Dimethoxy-4,4'-biphenylylene isocyanate
  • 3,3'-Dimethoxy-4,4'-biphenylylene isocyanic acid ester
  • 3,3'-Dimethoxy-4,4'-diphenylyl isocyanate
  • 3,3'-Dimethoxybenzidine-4,4'-diisocyanate
  • 4,4'-Diisocyanato-3,3'-dimethoxy-1,1'-biphenyl
  • 4-13-00-02837 (Beilstein Handbook Reference)
  • AI3-52494
  • BRN 0928196
  • CCRIS 250
  • DADI
  • Dianisidine diisocyanate
  • Dimethoxybenzidine-4,4'-diisocyanate
  • HSDB 4103
  • Isocyanic acid, 3,3'-dimethoxy-4,4'-biphenylene ester
  • Isocyanic acid, 3,3'-dimethoxy-4,4'-biphenylylene ester
  • Isocyanic acid, ester with O,O'-dimethoxybiphenyl
  • NCI-C02175
  • NSC 5040
  • UNII-5AC9L5Y28Y

Systematic Names

  • 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethoxy-
  • 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethoxy- (9CI)
  • 3,3'-Dimethoxybenzidine-4,4'-diisocyanate
  • Isocyanic acid, 3,3'-dimethoxy-4,4'-biphenylylene ester

Superlist Names

  • 3,3'-Dimethoxybenzidine-4,4'-diisocyanate
  • 3,3'-Dimethoxybenzidine-4,4'-diisocyanate [Diisocyanates]

Registry Numbers

CAS Registry Number

  • 91-93-0

FDA UNII

  • 5AC9L5Y28Y

System Generated Number

  • 0000091930

Structure Descriptors

InChI

1S/C16H12N2O4/c1-21-15-7-11(3-5-13(15)17-9-19)12-4-6-14(18-10-20)16(8-12)22-2/h3-8H,1-2H3

InChIKey

QZWKEPYTBWZJJA-UHFFFAOYSA-N

Smiles

c1(c2cc(c(N=C=O)cc2)OC)cc(OC)c(N=C=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02411,