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Substance Name: Isothiocyanic acid, 1-bromoallyl ester
RN: 101670-62-6
InChIKey: UFLSOHBWAIBDMM-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-Br-N-S

Molecular Weight

  • 178.053
 
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Names and Synonyms

Synonym

  • 1-Bromoallylisothiocyanate

Systematic Name

  • Isothiocyanic acid, 1-bromoallyl ester

Registry Numbers

CAS Registry Number

  • 101670-62-6

System Generated Number

  • 0101670626

Structure Descriptors

InChI

1S/C4H4BrNS/c1-2-4(5)6-3-7/h2,4H,1H2

InChIKey

UFLSOHBWAIBDMM-UHFFFAOYSA-N

Smiles

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

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#09981,