4,4,4-Trifluoro-1-phenyl-1,3-butanedione Chemical Properties

Melting point:

38-40 °C(lit.)

Boiling point:

224 °C(lit.)

Density 

1,113 g/cm³

Flash point:

210 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

95% ethanol: soluble25mg/mL, clear, colorless to yellow

form 

Crystalline Low Melting Solid

pka

pK1: 6.35 (25°C)

color 

White to yellow

Water Solubility 

Sparingly Soluble in water (0.24 g/L) (25°C).

BRN 

1875083

InChI

InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

VVXLFFIFNVKFBD-UHFFFAOYSA-N

SMILES

C(C1=CC=CC=C1)(=O)CC(=O)C(F)(F)F

CAS DataBase Reference

326-06-7(CAS DataBase Reference)

EPA Substance Registry System

1,3-Butanedione, 4,4,4-trifluoro-1-phenyl- (326-06-7)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

24/25

WGK Germany 

3

TSCA 

TSCA listed

HazardClass 

IRRITANT

HS Code 

29147000

Storage Class

11 - Combustible Solids

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4,4,4-Trifluoro-1-phenyl-1,3-butanedione Usage And Synthesis

Chemical Properties

WHITE TO YELLOW CRYSTALLINE LOW MELTING SOLID

Uses

4,4,4-Trifluoro-1-phenyl-1,3-butanedione was used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents via Schiff base condensation reaction. It was also used in mixed-ligand chelate extraction of trivalent lanthanides and as a ligand in the preparation of ternary lanthanide (Ln) complexes.

Synthesis

To a three-necked flask fitted with magnetic stirring, a dropping funnel and an inert gas device, 2 mL of anhydrous methanol was added with stirring and 0.230 g (10 ) of clean sodium metal crumbs were added. mmol) of clean sodium metal crumbs, and after all the sodium was dissolved, a water bath was installed to evaporate the unreacted methanol in the reaction system. After the sodium methanol was completely dried, 5 was added mL of anhydrous ether, quickly stirred well, and then cooled in an ice bath. 1.2 mL (10 mmol) of ethyl trifluoroacetate was diluted with 5 mL of anhydrous ether was diluted and added to the reaction flask. The ice bath was removed and 1.1 mL (10 mmol) acetophenone was diluted with 5 mL of anhydrous ether was diluted and added dropwise to the reaction system using a dropping funnel. The reaction was stirred at reflux for five hours and at the end of the reaction 10 was added mL of water was added to dissolve the resulting solid and the mixture was extracted with ether to remove unreacted ketones and esters. The aqueous phase was acidified with 0.5 mL (10 ) glacial acetic acid was acidified and then extracted with ether in portions, the organic phases were combined, dried with anhydrous magnesium sulfate and filtered. After the filtrate was evaporated from the ether, a light-yellow crystalline low-melting solid powder 1.691 was precipitated. g. The light yellow solid powder was recrystallized with ethanol-water to obtain light yellow pure benzoyltrifluoroacetone.

4,4,4-Trifluoro-1-phenyl-1,3-butanedione(326-06-7)Related Product Information

• 4,4,4-TRIFLUORO-1-(2-NAPHTHYL)-1,3-BUTANEDIONE
• 4,4,4-TRIFLUORO-1-(4-METHOXYPHENYL)-1,3-BUTANEDIONE
• 1-(4-CHLOROPHENYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE
• 4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE
• 4,4,4-Trifluoro-1-phenyl-1,3-butanedione
• 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
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• 1,1,1-Trifluoroacetone
• Benzoylacetone
• 1-(4-BROMO-PHENYL)-4,4,4-TRIFLUORO-BUTANE-1,3-DIONE
• 4,4,4-TRIFLUORO-1-(3,4,5-TRIMETHOXYPHENYL)-1,3-BUTANEDIONE
• 1-(3,4-DIMETHYL-PHENYL)-4,4,4-TRIFLUORO-BUTANE-1,3-DIONE
• 1-(4-BIPHENYLYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE
• 1-(3-CHLOROPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE
• 1-(4-ETHYL-PHENYL)-4,4,4-TRIFLUORO-BUTANE-1,3-DIONE
• 4,4,4-trifluoro-1-(2-methylphenyl)butane-1,3-dione
• 1-(2-CHLOROPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE