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Substance Name: Thiocyanic acid, 3-chloroallyl ester
RN: 76855-01-1
InChIKey: KLFSZAVVJVHPTD-OWOJBTEDSA-N

Molecular Formula

  • C4-H4-Cl-N-S

Molecular Weight

  • 133.602
 
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Names and Synonyms

Synonyms

  • 3-03-00-00284 (Beilstein Handbook Reference)
  • 3-Chloroallyl thiocyanate
  • BRN 1748629
  • NSC 168646
  • Thiocyanic acid, 3-chloro-2-propenyl ester

Systematic Name

  • Thiocyanic acid, 3-chloroallyl ester

Registry Numbers

CAS Registry Number

  • 76855-01-1

System Generated Number

  • 0076855011

Structure Descriptors

InChI

1S/C4H4ClNS/c5-2-1-3-7-4-6/h1-2H,3H2/b2-1+

InChIKey

KLFSZAVVJVHPTD-OWOJBTEDSA-N

Smiles

C(#N)SC\C=C\Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13mg/kg (13mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09630,