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Substance Name: Isocyanic acid, 4-(p-isocyanatobenzyl)-m-phenylene ester
RN: 51944-41-3
InChIKey: ZXWVOQDKFAZLFW-UHFFFAOYSA-N

Molecular Formula

  • C16-H9-N3-O3

Molecular Weight

  • 291.265
 
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Names and Synonyms

Synonyms

  • 2,2',4-Tricyanatodiphenylmethane
  • 2-Cyanatodiphenylmethanediisocyanate
  • 4-Cyanatodiphenylmethanediisocyanate

Systematic Name

  • Isocyanic acid, 4-(p-isocyanatobenzyl)-m-phenylene ester

Registry Numbers

CAS Registry Number

  • 51944-41-3

System Generated Number

  • 0051944413

Structure Descriptors

InChI

1S/C16H9N3O3/c20-9-17-14-4-1-12(2-5-14)7-13-3-6-15(18-10-21)8-16(13)19-11-22/h1-6,8H,7H2

InChIKey

ZXWVOQDKFAZLFW-UHFFFAOYSA-N

Smiles

c1(c(cc(N=C=O)cc1)N=C=O)Cc1ccc(N=C=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 25gm/kg (25000mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 128, 1979.
rat LD50 oral 20gm/kg (20000mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 128, 1979.