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Substance Name: Isothiocyanic acid, 2-bromoallyl ester
RN: 101670-63-7
InChIKey: OVLGERKAQNKJRX-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-Br-N-S

Molecular Weight

  • 178.053
 
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Names and Synonyms

Synonyms

  • 2-Bromoallyl isothiocyanate
  • 3-04-00-00459 (Beilstein Handbook Reference)
  • BRN 1748581

Systematic Name

  • Isothiocyanic acid, 2-bromoallyl ester

Registry Numbers

CAS Registry Number

  • 101670-63-7

System Generated Number

  • 0101670637

Structure Descriptors

InChI

1S/C4H4BrNS/c1-4(5)2-6-3-7/h1-2H2

InChIKey

OVLGERKAQNKJRX-UHFFFAOYSA-N

Smiles

C(C(=C)Br)N=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09486,