1-(2-Bromo-3-chlorophenyl)ethan-1-one

Name: 1-(2-Bromo-3-chlorophenyl)ethan-1-one
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CAS No. 161957-60-4
Cat. No. CS-0197724
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-(2-Bromo-3-chlorophenyl)ethan-1-one|CS-0197724

Structure of 161957-60-4

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General Information

CAS No. 161957-60-4
Cat. No. CS-0197724
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrClO
Molecular Weight 233.49
Synonym(s) 1-(2-Bromo-3-chlorophenyl)ethanone
SMILES CC(=O)C1=C(C(=CC=C1)Cl)Br

Description

This bromochlorophenyl ketone features a sterically hindered aryl moiety with complementary halogen substituents, enabling selective cross-coupling reactions under mild conditions. The ortho-bromo and meta-chloro groups facilitate efficient Pd-catalyzed transformations while maintaining stability during handling and storage.

Application

1-(2-Bromo-3-chlorophenyl)ethan-1-one serves as a versatile building block for constructing substituted benzene cores in medicinal chemistry and agrochemical synthesis. Its bromo and chloro substituents enable palladium-catalyzed cross-coupling reactions, while the acetyl group offers a handle for further functionalization via nucleophilic or electrophilic transformations. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for iterative synthesis workflows.

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
Precautionary Statements : P261-P302+P352

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Computational Chemistry Data

TPSA 17.07
LogP 3.3051
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2-Bromo-3-chlorophenyl)ethan-1-one

CAS No. 161957-60-4

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