4'-Bromo-3'-fluoroacetophenone

Name: 4'-Bromo-3'-fluoroacetophenone
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CAS No. 304445-49-6
Cat. No. CS-W005607
Purity≥98%
MDL No.MFCD00466241

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4'-Bromo-3'-fluoroacetophenone|CS-W005607

Structure of 304445-49-6

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General Information

CAS No. 304445-49-6
Cat. No. CS-W005607
Purity ≥98%
MDL No. MFCD00466241
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO
Molecular Weight 217.04
Synonym(s) 1-(4-BroMo-3-fluorophenyl)ethanone
SMILES BrC1=C(C=C(C=C1)C(C)=O)F

Description

4'-Bromo-3'-fluoroacetophenone features a strategically positioned bromo and fluoro substituent flanking the acetophenone core, enabling selective functionalization in cross-coupling and electrophilic substitution reactions. The electron-withdrawing halogens enhance reactivity while maintaining stability under standard conditions.

Application

4'-Bromo-3'-fluoroacetophenone serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogenation pattern. The bromo group facilitates Suzuki, Stille, or Negishi coupling, while the fluoro substituent enhances metabolic stability and modulates electronic properties. Its bench-stable crystalline form simplifies handling and purification, making it ideal for modular synthesis of functionalized biaryls and heterocyclic scaffolds.

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 2.7908
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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4'-Bromo-3'-fluoroacetophenone

CAS No. 304445-49-6

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