1-(4-Chloro-2-(trifluoromethyl)phenyl)ethanone

Name: 1-(4-Chloro-2-(trifluoromethyl)phenyl)ethanone
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CAS No. 86520-34-5
Cat. No. CS-0186253
Molecule weight222.59
Purity≥98%
MDL No.None

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1-(4-Chloro-2-(trifluoromethyl)phenyl)ethanone|CS-0186253

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General Information

CAS No. 86520-34-5
Cat. No. CS-0186253
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆ClF₃O
Molecular Weight 222.59
Synonym(s) 4′-Chloro-2′-(trifluoromethyl)acetophenone
SMILES CC(=O)C1=C(C=C(C=C1)Cl)C(F)(F)F

Description

1-(4-Chloro-2-(trifluoromethyl)phenyl)ethanone features a trifluoromethyl-substituted aryl ring coupled to a ketone-bearing ethyl side chain, delivering enhanced electron-withdrawing character and improved metabolic stability. This configuration supports efficient incorporation into pharmaceutical intermediates and functional materials, particularly in heterocyclic synthesis and transition-metal-catalyzed coupling reactions under standard conditions.

Application

1-(4-Chloro-2-(trifluoromethyl)phenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling the construction of biologically relevant aryl ketones. Its trifluoromethyl and chloro substituents enhance metabolic stability and modulate electronic properties. The ketone functionality facilitates nucleophilic additions, reductive aminations, and coupling reactions, offering reliable access to diverse heterocyclic scaffolds and API intermediates. Bench-stable and amenable to standard purification techniques, it functions effectively in multi-step syntheses.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 17.07
LogP 3.5614
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(4-Chloro-2-(trifluoromethyl)phenyl)ethanone

CAS No. 86520-34-5

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