CAS 421-50-1

1,1,1-Trifluoroacetone

Description:

1,1,1-Trifluoroacetone is a colorless liquid with a distinctive odor, classified as a halogenated ketone. Its molecular formula is C3H3F3O, and it features three fluorine atoms attached to the carbon adjacent to the carbonyl group, which significantly influences its chemical properties. This compound is known for its high volatility and low boiling point, making it useful in various applications, including as a solvent and in organic synthesis. 1,1,1-Trifluoroacetone is also recognized for its reactivity, particularly in nucleophilic substitution reactions, due to the electron-withdrawing effects of the fluorine atoms. It is soluble in organic solvents but has limited solubility in water. Safety considerations are important when handling this substance, as it can be harmful if inhaled or ingested, and appropriate precautions should be taken to minimize exposure. Additionally, it is important to note that 1,1,1-Trifluoroacetone can undergo hydrolysis, leading to the formation of trifluoroacetic acid under certain conditions.

Formula: C₃H₃F₃O

InChI: InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3

InChI key: InChIKey=FHUDAMLDXFJHJE-UHFFFAOYSA-N

SMILES: C(C(C)=O)(F)(F)F

Synonyms:

• 1,1,1-Trifluoro-2-propanone
• 1,1,1-Trifluoropropan-2-One
• 2,2,2-Trifluoroethane-1,1-Diol
• 2-Propanone, 1,1,1-trifluoro-
• 3,3,3-Trifluoroacetone
• Methyl trifluoromethyl ketone
• NSC 66412
• TFK
• Trifluoroacetone
• Trifluoromethyl methyl ketone
• α,α,α-Trifluoroacetone

1,1,1-Trifluoroacetone, 95%

CAS: 421-50-1

1,1,1-Trifluoroacetone is used in a synthesis of 2-trifluoromethyl-7-azaindoles starting with 2,6-dihalopyridines. The derived chiral imine was used to prepare enantiopure -trifluoromethyl alanines and diamines via a Strecker reaction followed by either nitrile hydrolysis or reduction. And also used

Formula: C₃H₃F₃O

Purity: 95%

Color and Shape: Clear colorless to pale yellow to yellow to orange, Liquid

Molecular weight: 112.05

Ref: 02-A13556

1,1,1-Trifluoroacetone

CAS: 421-50-1

Formula: C₃H₃F₃O

Purity: 98.0%

Color and Shape: Clear colourless liquid

Molecular weight: 112.051

Ref: 10-F007468

1,1,1-Trifluoroacetone

CAS: 421-50-1

1,1,1-Trifluoroacetone

Formula: C₃H₃F₃O

Purity: 98%

Molecular weight: 112.05g/mol

Ref: 54-PC7180

1,1,1-Trifluoroacetone

CAS: 421-50-1

Stability Volatile
Applications 1,1,1-Trifluoroacetone is a general chemical reagent used in the synthesis of glucokinase-glucokinase regulatory protein) GK-GKRP disruptors which may act as potential targets for type II diabetics. Reactant for enantioselective cycloadditions.
References Nishimura, N. et al.: J. Med. Chem., 57, 3094 (2014); Davies, A. et al.: Chem. A Eur. J., 21, 18944 (2015);

Formula: C₃H₃F₃O

Color and Shape: Neat

Molecular weight: 112.05

Ref: TR-T780050