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Substance Name: Isothiocyanic acid, 1-chloroallyl ester
RN: 101670-64-8
InChIKey: IBJTXFMZFGUXGV-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-Cl-N-S

Molecular Weight

  • 133.602
 
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Names and Synonyms

Synonym

  • 1-Chloroallyl isothiocyanate

Systematic Name

  • Isothiocyanic acid, 1-chloroallyl ester

Registry Numbers

CAS Registry Number

  • 101670-64-8

System Generated Number

  • 0101670648

Structure Descriptors

InChI

1S/C4H4ClNS/c1-2-4(5)6-3-7/h2,4H,1H2

InChIKey

IBJTXFMZFGUXGV-UHFFFAOYSA-N

Smiles

N([C@@H](C=C)Cl)=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5600ug/kg (5.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09631,