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Substance Name: 1,3-Diisocyanatobenzene
RN: 123-61-5
UNII: B44H9MFH1S
InChIKey: VGHSXKTVMPXHNG-UHFFFAOYSA-N

Molecular Formula

  • C8-H4-N2-O2

Molecular Weight

  • 160.132
 
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Names and Synonyms

Name of Substance

  • 1,3-Diisocyanatobenzene

Synonyms

  • 1,3-Diisocyanatobenzene
  • 1,3-Phenylene diisocyanate
  • 4-13-00-00089 (Beilstein Handbook Reference)
  • AI3-28286
  • Benzene 1,3-diisocyanate
  • Benzene, 1,3-diisocyanato-
  • Benzene, m-diisocyanato-
  • Benzene-1,3-diisocyanate
  • BRN 0776957
  • EINECS 204-637-7
  • m-Phenylene diisocyanate
  • m-Phenylene isocyanate
  • Nacconate 400
  • NSC 511721
  • UNII-B44H9MFH1S

Systematic Names

  • Benzene, 1,3-diisocyanato-
  • Isocyanic acid, m-phenylene ester
  • m-Phenylene diisocyanate

Superlist Name

  • 1,3-Phenylene diisocyanate [Diisocyanates]

Registry Numbers

CAS Registry Number

  • 123-61-5

FDA UNII

  • B44H9MFH1S

System Generated Number

  • 0000123615

Structure Descriptors

InChI

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

InChIKey

VGHSXKTVMPXHNG-UHFFFAOYSA-N

Smiles

c1c(cccc1N=C=O)N=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5600ug/kg (5.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07804,