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Substance Name: 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate
RN: 139-25-3
UNII: 3D7H11TIK1
InChIKey: DTZHXCBUWSTOPO-UHFFFAOYSA-N

Molecular Formula

  • C17-H14-N2-O2

Molecular Weight

  • 278.3096
 
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Names and Synonyms

Name of Substance

  • 3,3'-Dimethyldiphenyl methane-4,4'-diisocyanate

Synonyms

  • 3,3'-Dimethyldiphenylmethane 4,4'-diisocyanate
  • 3,3'-Dimethyldiphenylmethane-4,4'-diisocyanate
  • 4,4'-Diisocyanato-3,3'-dimethyldiphenylmethane
  • 4-13-00-00432 (Beilstein Handbook Reference)
  • 5,5'-Methylenebis(2-isocyanatotoluene)
  • BRN 2150383
  • Isocyanic acid, ester with di-o-toluenemethane
  • Nacconate 310
  • NSC 84203
  • Toluene, 5,5'-methylenebis(2-isocyanato-
  • UNII-3D7H11TIK1

Systematic Names

  • Benzene, 1,1'-methylenebis(4-isocyanato-3-methyl-
  • Isocyanic acid, ester with di-o-toluenemethane
  • Isocyanic acid, methylenebis(2-methyl-p-phenylene) ester (8CI)

Superlist Name

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

Registry Numbers

CAS Registry Number

  • 139-25-3

FDA UNII

  • 3D7H11TIK1

System Generated Number

  • 0000139253

Structure Descriptors

InChI

1S/C17H14N2O2/c1-12-7-14(3-5-16(12)18-10-20)9-15-4-6-17(19-11-21)13(2)8-15/h3-8H,9H2,1-2H3

InChIKey

DTZHXCBUWSTOPO-UHFFFAOYSA-N

Smiles

Cc1cc(Cc2ccc(N=C=O)c(C)c2)ccc1N=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00946,