1-(3-Chlorophenyl)-2,2,2-trifluoroethanone

Name: 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone
Brand: ChemScene
Availability: InStock
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CAS No. 321-31-3
Cat. No. CS-0019050
Purity≥96%
MDL No.MFCD00461896

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(3-Chlorophenyl)-2,2,2-trifluoroethanone|CS-0019050

Structure of 321-31-3

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Description

1-(3-Chlorophenyl)-2,2,2-trifluoroethanone features a trifluoromethyl ketone moiety flanked by a 3-chlorophenyl group, delivering enhanced electrophilicity and stability. This configuration enables efficient integration into C–C bond formation reactions, particularly in nucleophilic additions and transition-metal-catalyzed couplings. The molecule exhibits robust bench-stability under standard conditions and demonstrates favorable solubility in common organic solvents.

Application

1-(3-Chlorophenyl)-2,2,2-trifluoroethanone serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated aryl ketones via standard carbonyl transformations. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the ortho-chloro substituent provides a handle for further functionalization. The compound exhibits good bench stability and facilitates efficient synthesis of heterocyclic scaffolds and API intermediates through nucleophilic addition and condensation reactions.

General Information

CAS No. 321-31-3
Cat. No. CS-0019050
Purity ≥96%
MDL No. MFCD00461896
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClF₃O
Molecular Weight 208.57
Synonym(s) trifluoromethyl3-chlorophenylketone
SMILES FC(F)(F)C(C1=CC=CC(Cl)=C1)=O

Computational Chemistry Data

TPSA 17.07
LogP 3.085
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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-(3-Chlorophenyl)-2,2,2-trifluoroethanone

CAS No. 321-31-3

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