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Substance Name: Hexadecanoic acid, 16-fluoro-, ethyl ester
RN: 408-07-1
InChIKey: NJHLYKCEFTYADU-UHFFFAOYSA-N

Molecular Formula

  • C18-H35-F-O2

Molecular Weight

  • 302.47
 
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Names and Synonyms

Synonyms

  • 4-02-00-01184 (Beilstein Handbook Reference)
  • BRN 1789807
  • Ethyl 16-fluorohexadecanoate

Systematic Name

  • Hexadecanoic acid, 16-fluoro-, ethyl ester

Registry Numbers

CAS Registry Number

  • 408-07-1

System Generated Number

  • 0000408071

Structure Descriptors

InChI

1S/C18H35FO2/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2-17H2,1H3

InChIKey

NJHLYKCEFTYADU-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCF)CC(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7mg/kg (7mg/kg)   Journal of Organic Chemistry. Vol. 21, Pg. 883, 1956.
mouse LD50 subcutaneous 7mg/kg (7mg/kg)   "Fluorine Chemistry, Volume III. Biological Effects of Organic Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963Vol. 3, Pg. 62, 1963.