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Substance Name: Ethyl fluoroacetate
RN: 459-72-3
UNII: AUS1L6UM7B
InChIKey: VCYZVXRKYPKDQB-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-F-O2

Molecular Weight

  • 106.095
 
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Names and Synonyms

Name of Substance

  • Ethyl fluoroacetate

Synonyms

  • 4-02-00-00447 (Beilstein Handbook Reference)
  • Acetic acid, fluoro-, ethyl ester
  • BRN 1743761
  • EINECS 207-297-8
  • Ethyl fluoroacetate
  • Ethyl monofluoroacetate
  • Ethylester kyseliny fluoroctove
  • Ethylester kyseliny fluoroctove [Czech]
  • HSDB 2846
  • Monofluoroacetic acid ethyl ester
  • NSC 133459
  • UNII-AUS1L6UM7B

Systematic Names

  • Acetic acid, 2-fluoro-, ethyl ester
  • Acetic acid, fluoro-, ethyl ester
  • Ethyl fluoroacetate

Registry Numbers

CAS Registry Number

  • 459-72-3

FDA UNII

  • AUS1L6UM7B

System Generated Number

  • 0000459723

Structure Descriptors

InChI

1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChIKey

VCYZVXRKYPKDQB-UHFFFAOYSA-N

Smiles

C(OCC)(CF)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   "Fluorine Chemistry, Volume III. Biological Effects of Organic Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963Vol. 3, Pg. 59, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 120 deg C   EXP
log P (octanol-water) 0.800 (none)   EST
Atmospheric OH Rate Constant 1.13E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.