Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bitolylene diisocyanate
RN: 91-97-4
UNII: 9L950NB0HN
InChIKey: ICLCCFKUSALICQ-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-N2-O2

Molecular Weight

  • 264.283
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Bitolylene diisocyanate

Name of Substance

  • Bitolylene diisocyanate

Synonyms

  • 3,3'-Bitolylene-4,4'-diisocyanate
  • 3,3'-Dimethyl-4,4'-biphenylene diisocyanate
  • 3,3'-Dimethyl-4,4'-biphenylene isocyanate
  • 3,3'-Dimethyl-4,4'-biphenylylene diisocyanate
  • 3,3'-Dimethyl-4,4'-diphenylene diisocyanate
  • 3,3'-Dimethylbiphenyl 4,4'-diisocyanate
  • 4,4'-Diisocyanato-3,3'-bitolyl
  • 4,4'-Diisocyanato-3,3'-dimethylbiphenyl
  • 4-13-00-00424 (Beilstein Handbook Reference)
  • Bitolylene diisocyanate
  • BRN 2743710
  • CCRIS 8907
  • EC 202-112-7
  • EINECS 202-112-7
  • Isocyanic acid, 3,3'-dimethyl-4,4'-biphenylene ester
  • Nacconate 200
  • NSC 9599
  • UNII-9L950NB0HN

Systematic Names

  • 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-
  • 3,3'-Dimethylbiphenyl-4,4'-diyl diisocyanate
  • isocyanic acid, 3,3'-dimethyl-4,4'-biphenylylene ester (7CI,8CI)

Superlist Names

  • 3,3'-Dimethyl-4,4'-diphenylenediisocyanate
  • 3,3'-Dimethyl-4,4'-diphenylenediisocyanate [Diisocyanates]

Registry Numbers

CAS Registry Number

  • 91-97-4

FDA UNII

  • 9L950NB0HN

Other Registry Numbers

  • 119684-28-5
  • 137534-82-8

System Generated Number

  • 0000091974

Structure Descriptors

InChI

1S/C16H12N2O2/c1-11-7-13(3-5-15(11)17-9-19)14-4-6-16(18-10-20)12(2)8-14/h3-8H,1-2H3

InChIKey

ICLCCFKUSALICQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD unreported > 5gm/kg (5000mg/kg)   Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (7), Pg. 37, 1994.
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02412,