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Substance Name: Isothiocyanic acid, 2-chloroallyl ester
RN: 14214-31-4
InChIKey: DGBFPSVUFUDQNA-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-Cl-N-S

Molecular Weight

  • 133.602
 
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Names and Synonyms

Synonyms

  • 0-04-00-00219 (Beilstein Handbook Reference)
  • 2-Chloro-3-isothiocyanato-1-propene
  • 2-Chloroallyl isothiocyanate
  • beta-Chloroallyl isothiocyanate
  • BRN 1748580
  • EC 604-275-3

Systematic Names

  • 1-Propene, 2-chloro-3-isothiocyanato- (9CI)
  • 2-Chlor-3-isothiocyanato-1-propene
  • Isothiocyanic acid, 2-chloroallyl ester

Registry Numbers

CAS Registry Number

  • 14214-31-4

System Generated Number

  • 0014214314

Structure Descriptors

InChI

1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2

InChIKey

DGBFPSVUFUDQNA-UHFFFAOYSA-N

Smiles

C(C(=C)Cl)N=C=S

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#09496,