Name | ethyl 4,4,4-trifluoroacetoacetate |
Synonyms | ETFAA ethyl trifluoroacetoacetate Ethyl4,4,-Trifluoroacetoacetate Ethyl-4,4,4-trifluoroacetoacetate ethyl 4,4,4-trifluoroacetoacetate ETHYL 4,4,4-TRIFLUOROACETYLACETATE Ethyl 4,4,4-trifluoro-3-oxobutyrate Ethyl 4,4,4-trifluoro-3-oxobutanoate Ethyl 3-oxo-4,4,4-trifluorobutanoate Trifluoro acetoacetic acid ethyl ester Ethyl 3-oxo-4,4,4-trifluoroacetoacetate (Trifluoroacetyl)acetic acid ethyl ester 1-Ethoxy-4,4,4-trifluorobutane-1,3-dione 4,4,4-Trifluoroacetoacetic acid ethyl ester |
CAS | 372-31-6 |
EINECS | 206-750-7 |
InChI | InChI=1/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3 |
InChIKey | OCJKUQIPRNZDTK-UHFFFAOYSA-N |
Molecular Formula | C6H7F3O3 |
Molar Mass | 184.11 |
Density | 1.259g/mLat 25°C(lit.) |
Melting Point | -39 °C |
Boling Point | 129-130°C(lit.) |
Flash Point | 84°F |
Water Solubility | 10 g/L (20 ºC) |
Solubility | 10g/l |
Vapor Presure | 8hPa at 20℃ |
Appearance | Liquid |
Specific Gravity | 1.259 (20/4℃) |
Color | Clear colorless to slightly yellow |
BRN | 608353 |
pKa | 7.76±0.10(Predicted) |
PH | 6.2 (10g/l, H2O, 20℃) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | n20/D 1.375(lit.) |
Physical and Chemical Properties | density 1.259 melting point -39°C boiling point 131°C (709 mmHg) refractive index 1.375-1.378 flash point 28°C water-soluble 10g/L (20°C) |
Use | Used as pesticide, pharmaceutical intermediates |
Risk Codes | R10 - Flammable R22 - Harmful if swallowed R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
Safety Description | S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S16 - Keep away from sources of ignition. |
UN IDs | UN 3272 3/PG 3 |
WGK Germany | 2 |
TSCA | T |
HS Code | 29183000 |
Hazard Note | Flammable/Corrosive |
Hazard Class | 3 |
Packing Group | III |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
preparation | (1) 70ml of mixed aqueous solution Ⅰ prepared by Mg(NO3)2 · 6H2O48.08g(0.1875mol) and Al(NO3)3 · 9H2O23.45g(0.0625mol) in a four-mouth bottle, mix 70ml of mixed aqueous solution Ⅱ prepared with 20g(0.5mol) of sodium hydroxide and 3.31g(0.03125mol) of sodium carbonate to obtain a mixed solution, adjust the pH value of the mixed solution to 8.5, stir for 30min, age at 65 ℃ for 18h, filter to obtain filter cake, wash the filter cake to neutral, dry at 80 ℃ for 12h, and grind to obtain catalyst precursor;(2) The catalyst precursor obtained in step (1) is put into a muffle furnace and calcined at 450°C for 3 hours, and naturally cooled to room temperature under nitrogen protection. The calcined solid is added to 100 ml0.1mol/LKF aqueous solution, stirred at room temperature for 48h, filtered, washed with water and dried in vacuum, calcined at 450 ℃ for 8h, and then naturally cooled to room temperature under nitrogen protection to prepare catalyst;(3) 40g of ethyl acetate, 20g of ethyl trifluoroacetate and 0.02g of catalyst obtained in step (2) are added into four flasks respectively, reacting at 40 ℃ for 6h, distilling removes unreacted ethyl acetate and the generated ethanol to obtain condensation product, cooling, adding 10g of mixed solution of formic acid and ethyl acetate (mass ratio of formic acid to ethyl acetate is 1:1) to the obtained condensation product, reacting at 40 ℃ for 1h, cooling, filtering, distilling the filtrate under reduced pressure to obtain ethyl trifluoroacetoacetate, GC/MS analysis, the purity is 99.9%, the yield was 87.9%. |
use | for pesticide intermediates. As a fine intermediate, it is widely used in the synthesis of fluorine-containing pesticides, pharmaceuticals, and organic intermediates As a fine intermediate, it is widely used in the synthesis of fluorine-containing pesticides, pharmaceuticals, and organic intermediates. An important intermediate for the synthesis of fluorine-containing heterocyclic medicines and pesticides, organic synthetic blocks. |