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Substance Name: Thiocyanic acid, 4-chlorobutyl ester
RN: 64047-99-0
InChIKey: RTDSLKLCOSEZTI-UHFFFAOYSA-N

Molecular Formula

  • C5-H8-Cl-N-S

Molecular Weight

  • 149.644
 
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Names and Synonyms

Synonyms

  • 4-03-00-00330 (Beilstein Handbook Reference)
  • 4-Chlorobutyl thiocyanate
  • BRN 1746875

Systematic Name

  • Thiocyanic acid, 4-chlorobutyl ester

Registry Numbers

CAS Registry Number

  • 64047-99-0

System Generated Number

  • 0064047990

Structure Descriptors

InChI

1S/C5H8ClNS/c6-3-1-2-4-8-5-7/h1-4H2

InChIKey

RTDSLKLCOSEZTI-UHFFFAOYSA-N

Smiles

C(#N)SCCCCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   Journal of the American Chemical Society. Vol. 78, Pg. 3843, 1956.