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Substance Name: Carbanilic acid, p-methyl-, 4-thiocyanato-2-butynyl ester
RN: 73623-22-0
InChIKey: DCOGTCBPFWOKEJ-UHFFFAOYSA-N

Molecular Formula

  • C13-H12-N2-O2-S

Molecular Weight

  • 260.316
 
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Names and Synonyms

Synonyms

  • 4-Thiocyanato-2-butynyl p-methylcarbanilate
  • BRN 2741589
  • p-Methylcarbanilic acid 4-thiocyanato-2-butynyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73623-22-0

System Generated Number

  • 0073623220

Structure Descriptors

InChI

1S/C13H12N2O2S/c1-11-4-6-12(7-5-11)15-13(16)17-8-2-3-9-18-10-14/h4-7H,8-9H2,1H3,(H,15,16)

InChIKey

DCOGTCBPFWOKEJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03008,