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372-31-6

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372-31-6 Structure

372-31-6 Structure
IdentificationMore
[Name]

Ethyl 4,4,4-trifluoroacetoacetate
[CAS]

372-31-6
[Synonyms]

4,4,4-TRIFLUORO-3-OXOBUTANOIC ACID ETHYL ESTER
4,4,4-TRIFLUOROACETOACETIC ACID ETHYL ESTER
AKOS B020306
ETHYL 3-OXO-4,4,4-TRIFLUOROACETOACETATE
ETHYL 3-OXO,4,4,4-TRIFLUOROBUTYRATE
ETHYL 4,4,4-TRIFLUORO-3-OXOBUTANOATE
ETHYL 4,4,4-TRIFLUOROACETOACETATE
ETHYL 4,4,4-TRIFLUOROACETOACTATE
ETHYL TRIFLUOROACETOACETATE
TIMTEC-BB SBB008825
TRIFLUOROACETOACETIC ACID ETHYL ESTER
4,4,4-trifluoro-3-oxo-butanoicaciethylester
Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester
Acetoacetic acid, 4-trifluoro-, ethyl ester
Butanoicacid,4,4,4-trifluoro-3-oxo-,ethylester
Ethyl (trifluoroacetyl)acetate
Ethyl gamma,gamma,gamma-trifluoroacetoacetate
Ethyl omega,omega,omega-trifluoroacetoacetate
Ethyl4,4,-Trifluoroacetoacetate
Ethyltrifluoroacetoacetate,98+%
[EINECS(EC#)]

206-750-7
[Molecular Formula]

C6H7F3O3
[MDL Number]

MFCD00000424
[Molecular Weight]

184.11
[MOL File]

372-31-6.mol
Chemical PropertiesBack Directory
[Appearance]

Clear liquid
[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.)
[Fp ]

84 °F
[storage temp. ]

Flammables area
[solubility ]

10g/l
[form ]

Liquid
[pka]

7.76±0.10(Predicted)
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

1.259 (20/4℃)
[PH]

6.2 (10g/l, H2O, 20℃)
[Water Solubility ]

10 g/L (20 ºC)
[Usage]

Intermediate for agro chemicals and pharmaceuticals (mefloquine). Product Data Sheet
[Detection Methods]

GC
[BRN ]

608353
[InChI]

1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
[InChIKey]

OCJKUQIPRNZDTK-UHFFFAOYSA-N
[SMILES]

CCOC(=O)CC(=O)C(F)(F)F
[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]

372-31-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H302-H412
[Precautionary statements ]

P210-P273-P301+P312+P330
[Hazard Codes ]

Xn,F,C,Xi
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

2
[Hazard Note ]

Flammable/Corrosive
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29183000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Trifluoroacetic acid-->Ethyl trifluoroacetate-->Ethyl acetate
[Preparation Products]

4-Bromo-6-(trifluoromethyl)pyrimidine-->5-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride-->(5-(Trifluoromethyl)-1-methyl-1H-pyrazol-4-yl)methanamine-->4-(Trifluoromethyl)-2-(methylthio)pyrimidine-5-carboxylic acid ,97%-->5-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxamide-->4-Trifluoromethyl-quinoline-2-carboxylic acid-->6-Fluoro-4-(trifluoromethyl)quinolin-2-amine ,97%-->ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate-->4-(Trifluoromethyl)quinoline-2-carbohydrazide ,97%-->(5-(Trifluoromethyl)-1-methyl-1H-pyrazol-4-yl)methanol-->4-(Trifluoromethyl)quinolin-2-amine-->5-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide-->(4-(Trifluoromethyl)quinolin-2-yl)methanol ,97%-->(6-Fluoro-4-(trifluoromethyl)quinolin-2-yl)methanol ,97%-->1-Phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride-->(1-tert-Butyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol-->(5-(Trifluoromethyl)-1-phenyl-1H-pyrazol-4-yl)methanamine-->(5-(Trifluoromethyl)-1-phenyl-1H-pyrazol-4-yl)methanol-->7-Hydroxy-4-(trifluoromethyl)coumarin-->4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine-->4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline-->1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid-->Ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate-->4-Methylpyrimidine-->Ethyl 1-(tert-butyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate-->4-bromo-2-(trifluoromethyl)quinoline-->Ethyl 6-fluoro-4-(trifluoromethyl)quinoline-2-carboxylate ,97%-->4-Hydroxy-2-methyl-6-trifluoromethylpyrimidine-->2,6-Bis(trifluoromethyl)-4-hydroxyquinoline-->Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate-->1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol-->2-Bromo-4-(trifluoromethyl)quinoline-->2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline-->4-Hydroxy-2-(trifluoromethyl)quinoline
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl 3-oxo-4,4,4-trifluoroacetoacetate(372-31-6).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear liquid
[Uses]

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

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

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.
[References]

[1] Journal of Fluorine Chemistry, 1982, vol. 20, p. 187
[2] Patent: CN103214355, 2016, B. Location in patent: Paragraph 0076
[3] Bulletin des Societes Chimiques Belges, 1926, vol. 35, p. 414
[4] Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1926, vol. <5> 12, p. 680,692
[5] Chem. Zentralbl., 1927, vol. 98, # I, p. 996,1286
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 4,4,4-trifluoroacetoacetate(372-31-6)MS
Ethyl 4,4,4-trifluoroacetoacetate(372-31-6)1HNMR
Ethyl 4,4,4-trifluoroacetoacetate(372-31-6)13CNMR
Ethyl 4,4,4-trifluoroacetoacetate(372-31-6)IR1
Ethyl 4,4,4-trifluoroacetoacetate(372-31-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 4,4,4-trifluoroacetoacetate, 97%(372-31-6)
[Alfa Aesar]

Ethyl trifluoroacetoacetate, 98+%(372-31-6)
[Sigma Aldrich]

372-31-6(sigmaaldrich)
[TCI AMERICA]

Ethyl 4,4,4-Trifluoroacetoacetate,>98.0%(GC)(372-31-6)
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