1-(4-Chloro-2-fluorophenyl)ethan-1-one

Name: 1-(4-Chloro-2-fluorophenyl)ethan-1-one
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CAS No. 175711-83-8
Cat. No. CS-0094504
Purity≥98%
MDL No.MFCD04116328

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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-(4-Chloro-2-fluorophenyl)ethan-1-one|CS-0094504

Structure of 175711-83-8

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General Information

CAS No. 175711-83-8
Cat. No. CS-0094504
Purity ≥98%
MDL No. MFCD04116328
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClFO
Molecular Weight 172.58
Synonym(s) 4'-Chloro-2'-fluoroacetophenone
SMILES CC(C1=CC=C(Cl)C=C1F)=O

Description

1-(4-Chloro-2-fluorophenyl)ethan-1-one features a fluorinated aromatic ring paired with an acetyl group, delivering enhanced electronic and steric control. This ketone serves as a key building block in pharmaceutical synthesis, particularly for compounds requiring halogenated aryl motifs. The ortho-fluoro substitution modulates reactivity and metabolic stability, enabling efficient integration into complex molecular architectures under standard conditions.

Application

1-(4-Chloro-2-fluorophenyl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated aryl ketones via standard carbonyl transformations. Its bench-stable nature and compatibility with palladium-catalyzed cross-couplings facilitate efficient access to biologically relevant scaffolds. Functional group tolerance supports downstream derivatization, including nucleophilic additions and reductive amination, making it a practical choice for API intermediate synthesis.

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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Computational Chemistry Data

TPSA 17.07
LogP 2.6817
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-fluorophenyl)ethan-1-one

CAS No. 175711-83-8

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