Trifluoroacetophenone Chemical Properties

Melting point:

-40 °C

Boiling point:

165-166 °C (lit.) 46-48 °C/14 mmHg (lit.)

Density 

1.24 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.458(lit.)

Flash point:

107 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform, Ethyl Acetate

form 

Liquid

Specific Gravity

1.240

color 

Clear colorless to yellow

Water Solubility 

PRACTICALLY INSOLUBLE

BRN 

1866286

InChI

1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H

InChIKey

KZJRKRQSDZGHEC-UHFFFAOYSA-N

SMILES

FC(F)(F)C(=O)c1ccccc1

CAS DataBase Reference

434-45-7(CAS DataBase Reference)

NIST Chemistry Reference

Ethanone, 2,2,2-trifluoro-1-phenyl-(434-45-7)

EPA Substance Registry System

Ethanone, 2,2,2-trifluoro-1-phenyl- (434-45-7)

Safety Information

Hazard Codes 

Xi,F

Risk Statements 

10-36/37/38

Safety Statements 

26-36-37/39-16

RIDADR 

UN 1224 3/PG 3

WGK Germany 

3

Hazard Note 

Corrosive/Lachrymatory

TSCA 

TSCA listed

HazardClass 

3

PackingGroup 

III

HS Code 

29147090

Storage Class

3 - Flammable liquids

Hazard Classifications

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:2,2,2-Trifluoroacetophenone
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Trifluoroacetophenone Usage And Synthesis

Chemical Properties

CLEAR COLORLESS TO YELLOW LIQUID

Uses

2,2,2-Trifluoroacetophenone is a fluorinated acetophenone with inhibitory activity of acetylcholinesterase. 2,2,2-Trifluoroacetophenone was shown to have neuroprotective activity by inhibiting apoptosis in cerebellar granule neurons.

General Description

2,2,2-Trifluoroacetophenone is the starting material for the synthesis of f 3-trifluoromethyl-3-phenyldiazirine. It undergoes asymmetric reduction with optically active Grignard reagent to form 2,2,2-trifluoro-1-phenylethanol. It undergoes condensation with biphenyl, terphenyl, a mixture of biphenyl with terphenyl, phenyl ether and diphenoxybenzophenone to form new aromatic 3F polymers.

Synthesis

2,2,2-Trifluoroacetophenone is commonly synthesized by the following methods: (1) Trifluoroacetic acid is directly synthesized in one step by reacting directly with the Grignard reagent of bromobenzene. The yield is about 60%. The advantages of this method are simple operation and cheap raw materials. Disadvantages: exothermic and low yield. (2) in -40 ??, carbon disulfide solvent, the role of Lewis acid AlCl3, trifluoroacetic anhydride and the benzene ring to pay the acylation reaction preparation, yield of about 70%. Advantages of the method: one-step synthesis. Disadvantages: solvent toxicity, AlCl3 is difficult to deal with, the use of strong acid, strong alkali corrosion equipment and pollution of the environment. (3) Trifluoromethane gas and benzoate or benzoyl chloride reaction, preparation. Yield 70-80%.

Trifluoroacetophenone(434-45-7)Related Product Information

• 3'-Fluoroacetophenone
• 3-Aminoacetophenone
• 4'-Hydroxyacetophenone
• 4-Fluoroacetophenone
• 2',4'-Dichloroacetophenone
• Acetophenone
• 4-Nitroacetophenone
• 4'-Bromoacetophenone
• 2-Bromoacetophenone
• 3-Nitroacetophenone
• 4'-(Trifluoromethyl)acetophenone
• Trifluoroacetamide
• Trifluoroacetic acid
• Trifluoroacetic anhydride
• Trifluoroacetamidine
• Trifluoroacetyl chloride
• 4'-METHYL-2,2,2-TRIFLUOROACETOPHENONE
• 4-Carboxy-alpha,alpha,alpha-trifluoroacetophenone