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Substance Name: Heptyl thiocyanate
RN: 5416-94-4
UNII: ZIC9NK498U
InChIKey: MAYXOEYPLLPIBN-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C8-H15-N-S

Molecular Weight

  • 157.279
 
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Names and Synonyms

Name of Substance

  • Heptyl thiocyanate

Synonyms

  • 4-03-00-00331 (Beilstein Handbook Reference)
  • AI3-18432
  • BRN 1749810
  • Heptyl thiocyanate
  • NSC 7322
  • UNII-ZIC9NK498U

Systematic Name

  • Thiocyanic acid, heptyl ester

Registry Numbers

CAS Registry Number

  • 5416-94-4

FDA UNII

  • ZIC9NK498U

System Generated Number

  • 0005416944

Structure Descriptors

InChI

1S/C8H15NS/c1-2-3-4-5-6-7-10-8-9/h2-7H2,1H3

InChIKey

MAYXOEYPLLPIBN-UHFFFAOYSA-N

Smiles

C(#N)SCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/kg)   Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.