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Substance Name: Heptanonitrile, 7-fluoro-
RN: 334-44-1
InChIKey: CFSMWCPJTYADHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-F-N

Molecular Weight

  • 129.177
 
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Names and Synonyms

Synonyms

  • 4-02-00-00964 (Beilstein Handbook Reference)
  • 7-Fluoroheptanonitrile
  • BRN 1747616

Systematic Name

  • Heptanonitrile, 7-fluoro-

Registry Numbers

CAS Registry Number

  • 334-44-1

System Generated Number

  • 0000334441

Structure Descriptors

InChI

1S/C7H12FN/c8-6-4-2-1-3-5-7-9/h1-6H2

InChIKey

CFSMWCPJTYADHU-UHFFFAOYSA-N

Smiles

C(CCC#N)CCCF

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2700ug/kg (2.7mg/kg)   Journal of the American Chemical Society. Vol. 78, Pg. 3484, 1956.
mouse LD50 subcutaneous 2700ug/kg (2.7mg/kg)   Compilation of LD50 Values of New Drugs.