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Substance Name: Hexanoic acid, 6-fluoro-, 2-fluoroethyl ester
RN: 591-69-5
InChIKey: PGJLRGDGBHMBSQ-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-F2-O2

Molecular Weight

  • 180.193
 
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Names and Synonyms

Synonyms

  • 2-Fluoroethyl 5-fluoropentanecarboxylate
  • 2-Fluoroethyl 6-fluorohexanoate
  • 3-02-00-00735 (Beilstein Handbook Reference)
  • BRN 1764600

Systematic Name

  • Hexanoic acid, 6-fluoro-, 2-fluoroethyl ester

Registry Numbers

CAS Registry Number

  • 591-69-5

System Generated Number

  • 0000591695

Structure Descriptors

InChI

1S/C8H14F2O2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7H2

InChIKey

PGJLRGDGBHMBSQ-UHFFFAOYSA-N

Smiles

C(C(OCCF)=O)CCCCF

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2500ug/kg (2.5mg/kg)   Journal of the Chemical Society. Vol. -, Pg. 1471, 1949.
rabbit LD50 intravenous 100ug/kg (0.1mg/kg)   Journal of the Chemical Society. Vol. -, Pg. 1471, 1949.