1-(3-Bromo-5-methylphenyl)ethanone

Name: 1-(3-Bromo-5-methylphenyl)ethanone
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CAS No. 1379325-64-0
Cat. No. CS-W007198
Molecule weight213.07
Purity≥98%
MDL No.MFCD18905445

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Excepted Quantity	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-(3-Bromo-5-methylphenyl)ethanone|CS-W007198

Structure of 1379325-64-0

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General Information

CAS No. 1379325-64-0
Cat. No. CS-W007198
Purity ≥98%
MDL No. MFCD18905445
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO
Molecular Weight 213.07
Synonym(s) 3'-Bromo-5'-methylacetophenone
SMILES CC(C1=CC(C)=CC(Br)=C1)=O

Description

1-(3-Bromo-5-methylphenyl)ethanone features a brominated aromatic ring fused to an acetyl group, offering a reactive platform for cross-coupling and functionalization. The para-methyl substitution enhances electron density at the reaction site, while the bromine serves as a high-efficiency coupling handle. This structure enables seamless integration into complex molecular architectures under standard catalytic conditions.

Application

1-(3-Bromo-5-methylphenyl)ethanone serves as a versatile building block for the synthesis of functionalized aryl ketones and heterocyclic scaffolds. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the methyl substituent provides regiochemical control. The compound exhibits bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and process-scale applications.

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 2.96012
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3-Bromo-5-methylphenyl)ethanone

CAS No. 1379325-64-0

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