Methyl 3-(trifluoromethyl)benzoylacetate

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Names

[ CAS No. ]:
93618-66-7

[ Name ]:
Methyl 3-(trifluoromethyl)benzoylacetate

[Synonym ]:
Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
MFCD00216522
Benzenepropanoic acid, β-oxo-3-(trifluoromethyl)-, methyl ester

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
248.7±35.0 °C at 760 mmHg

[ Melting Point ]:
94-96°C

[ Molecular Formula ]:
C11H9F3O3

[ Molecular Weight ]:
246.183

[ Flash Point ]:
101.2±20.8 °C

[ Exact Mass ]:
246.050385

[ PSA ]:
43.37000

[ LogP ]:
2.39

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.460

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25-S25-S24

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Potassium 3-methoxy-3-oxopropanoate
  • 3-(Trifluoromethyl)benzoyl chloride
  • Methyl acetate
  • Methyl 3-(trifluoromethyl)benzoate
  • Ethyl 3-(trifluoromethyl)benzoate

DownStream

  • 3-[3-(TRIFLUOROMETHYL)PHENYL]-5(4H)-ISOXAZOLONE

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

  • methyl 3-(trifluoromethyl)benzimidate hydrochloride
  • METHYL [3-(TRIFLUOROMETHYL)PHENYL] CYANOCARBONIMIDODITHIOATE
  • Methyl 3-(trifluoromethyl)benzoate
  • Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
  • Methyl 3-(trifluoromethyl)-2-thiophenecarboxylate
  • methyl 3-trifluoromethyl-5-cyano-benzo[b]thiophene-2-carboxylate
  • 1-(Hydroxymethyl)-2-oxabicyclo[3.1.1]heptane-4-carboxylic acid
  • Tert-butyl 3-(bromomethyl)-3-methoxypyrrolidine-1-carboxylate
  • Methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate
  • 4-(Methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
  • rac-(1R,2S)-1-(ethoxycarbonyl)-2-methylcyclopropane-1-carboxylic acid
  • 3-(2,5-Dioxoimidazolidin-1-yl)-2-fluorobenzoic acid
  • rac-(3R,4S)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(methoxycarbonyl)pyrrolidine-3-carboxylic acid
  • 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylic acid
  • Methyl 2-{5-oxa-2-azaspiro[3.5]nonan-6-yl}acetate
  • 2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonylchloride
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