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Substance Name: Thiocyanic acid, 6-fluorohexyl ester
RN: 408-28-6
InChIKey: IQVNZWORTXPRJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-F-N-S

Molecular Weight

  • 161.243
 
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Names and Synonyms

Synonyms

  • 4-03-00-00331 (Beilstein Handbook Reference)
  • 6-Fluorohexyl thiocyanate
  • BRN 1755623

Systematic Name

  • Thiocyanic acid, 6-fluorohexyl ester

Registry Numbers

CAS Registry Number

  • 408-28-6

System Generated Number

  • 0000408286

Structure Descriptors

InChI

1S/C7H12FNS/c8-5-3-1-2-4-6-10-7-9/h1-6H2

InChIKey

IQVNZWORTXPRJG-UHFFFAOYSA-N

Smiles

C(#N)SCCCCCCF

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Journal of the American Chemical Society. Vol. 78, Pg. 3843, 1956.
mouse LD50 subcutaneous 5mg/kg (5mg/kg)   Compilation of LD50 Values of New Drugs.