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HomeProduct name listEthyl 4,4,4-trifluoroacetoacetate

Ethyl 4,4,4-trifluoroacetoacetate

Synonym(s):ETFAA;Ethyl 3-oxo-4,4,4-trifluorobutyrate

  • CAS NO.:372-31-6
  • Empirical Formula: C6H7F3O3
  • Molecular Weight: 184.11
  • MDL number: MFCD00000424
  • EINECS: 206-750-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:07:02
Ethyl 4,4,4-trifluoroacetoacetate Structural

What is Ethyl 4,4,4-trifluoroacetoacetate?

Chemical properties

Clear liquid

The Uses of Ethyl 4,4,4-trifluoroacetoacetate

Ethyl 4,4,4-trifluoroacetoacetate is used in the synthesis of fluorinated 2-thiouracil analogs as antithyroid agents.

The Uses of Ethyl 4,4,4-trifluoroacetoacetate

Intermediate for agro chemicals and pharmaceuticals (mefloquine). Product Data Sheet

The Uses of Ethyl 4,4,4-trifluoroacetoacetate

Widely used in the synthetic process of medicine, pesticides and organic intermediate.

Flammability and Explosibility

Flammable

Synthesis

With an ethanol solution of sodium ethoxide as a catalyst and in the presence of an organic solvent, ethyl trifluoroacetate and ethyl acetate are subjected to a Claisen condensation reaction, and ethyl 4,4,4-trifluoroacetoacetate is synthesized.

Properties of Ethyl 4,4,4-trifluoroacetoacetate

Melting point: -39 °C
Boiling point: 129-130 °C(lit.)
Density  1.259 g/mL at 25 °C(lit.)
vapor pressure  8hPa at 20℃
refractive index  n20/D 1.375(lit.)
Flash point: 84 °F
storage temp.  Sealed in dry,Room Temperature
solubility  10g/l
form  Liquid
pka 7.76±0.10(Predicted)
Specific Gravity 1.259 (20/4℃)
color  Clear colorless to slightly yellow
PH 6.2 (10g/l, H2O, 20℃)
Water Solubility  10 g/L (20 ºC)
BRN  608353
CAS DataBase Reference 372-31-6(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester(372-31-6)
EPA Substance Registry System Ethyl 4,4,4-trifluoroacetoacetate (372-31-6)

Safety information for Ethyl 4,4,4-trifluoroacetoacetate

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H302:Acute toxicity,oral
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.

Computed Descriptors for Ethyl 4,4,4-trifluoroacetoacetate

InChIKey OCJKUQIPRNZDTK-UHFFFAOYSA-N

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