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Substance Name: 1,4-Diisocyanatobenzene
RN: 104-49-4
UNII: OKE64XZR2L
InChIKey: ALQLPWJFHRMHIU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H4-N2-O2

Molecular Weight

  • 160.1316
 
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Names and Synonyms

Name of Substance

  • 1,4-Diisocyanatobenzene

Synonyms

  • 1,4-Diisocyanatobenzene
  • 1,4-Phenylene diisocyanate
  • EINECS 203-207-6
  • NSC 94776
  • p-Phenylene diisocyanate
  • p-Phenylene isocyanate
  • UNII-OKE64XZR2L

Systematic Names

  • Benzene, 1,4-diisocyanato-
  • Isocyanic acid, p-phenylene ester (6CI,7CI,8CI)
  • p-Phenylene diisocyanate

Superlist Name

  • 1,4-Phenylene diisocyanate [Diisocyanates]

Registry Numbers

CAS Registry Number

  • 104-49-4

FDA UNII

  • OKE64XZR2L

Other Registry Number

  • 51807-23-9

System Generated Number

  • 0000104494

Structure Descriptors

InChI

1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H

InChIKey

ALQLPWJFHRMHIU-UHFFFAOYSA-N

Smiles

O=C=Nc1ccc(cc1)N=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 335mg/m3/4H (335mg/m3)   National Technical Information Service. Vol. OTS0543429,