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Substance Name: Thiocyanic acid, diester with p,p'-iminodiphenol
RN: 5339-39-9
InChIKey: DMKMFHSGKUDHOD-UHFFFAOYSA-N

Molecular Formula

  • C14-H9-N3-S2

Molecular Weight

  • 283.378
 
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Names and Synonyms

Synonyms

  • 3-13-00-01260 (Beilstein Handbook Reference)
  • 4,4'-Di(thiocyano)diphenylamine
  • AI3-18233
  • BRN 3361936
  • Diphenylamine, 4,4'-dithiocyano-
  • NSC 3514
  • p,p-Dithiocyanatodiphenylamine
  • Thiocyanic acid, diester with p,p'-iminodiphenol
  • Thiocyanic acid, iminodi-4,1-phenylene ester
  • TL 377

Systematic Names

  • Thiocyanic acid, diester with p,p'-iminodiphenol
  • Thiocyanic acid, iminodi-4,1-phenylene ester

Registry Numbers

CAS Registry Number

  • 5339-39-9

System Generated Number

  • 0005339399

Structure Descriptors

InChI

1S/C14H9N3S2/c15-9-18-13-5-1-11(2-6-13)17-12-3-7-14(8-4-12)19-10-16/h1-8,17H

InChIKey

DMKMFHSGKUDHOD-UHFFFAOYSA-N

Smiles

C(#N)Sc1ccc(Nc2ccc(SC#N)cc2)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 400mg/m3/10M (400mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. SEP1942,
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 289, 1953.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03897,