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Substance Name: Carbanilic acid, p-bromo-, 4-thiocyanato-2-butynyl ester
RN: 14223-12-2
InChIKey: FWKZTWZDAPGSQW-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-Br-N2-O2-S

Molecular Weight

  • 325.185
 
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Names and Synonyms

Synonyms

  • 4-Thiocyanato-2-butynyl p-bromocarbanilate
  • BRN 3060453
  • p-Bromocarbanilic acid 4-thiocyanato-2-butynyl ester

Systematic Name

  • Carbanilic acid, p-bromo-, 4-thiocyanato-2-butynyl ester

Registry Numbers

CAS Registry Number

  • 14223-12-2

System Generated Number

  • 0014223122

Structure Descriptors

InChI

1S/C12H9BrN2O2S/c13-10-3-5-11(6-4-10)15-12(16)17-7-1-2-8-18-9-14/h3-6H,7-8H2,(H,15,16)

InChIKey

FWKZTWZDAPGSQW-UHFFFAOYSA-N

Smiles

c1(NC(OCC#CCSC#N)=O)ccc(Br)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06262,