2-Bromo-5-fluorophenylacetic acid

Name: 2-Bromo-5-fluorophenylacetic acid
Brand: ChemScene
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CAS No. 739336-26-6
Cat. No. CS-W006988
Purity≥97%
MDL No.MFCD03094440

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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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2-Bromo-5-fluorophenylacetic acid|CS-W006988

Structure of 739336-26-6

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General Information

CAS No. 739336-26-6
Cat. No. CS-W006988
Purity ≥97%
MDL No. MFCD03094440
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO₂
Molecular Weight 233.03
Synonym(s) 2-Bromo-5-fulorophenylacetic acid
SMILES BrC1=CC=C(F)C=C1CC(O)=O

Description

2-Bromo-5-fluorophenylacetic acid features a bromine atom at the ortho position and a fluorine substituent at the para position relative to the acetic acid side chain, delivering enhanced electron-withdrawing character and improved metabolic stability. This configuration enables efficient coupling in cross-coupling reactions and facilitates incorporation into bioactive scaffolds requiring halogenated aromatic platforms.

Application

2-Bromo-5-fluorophenylacetic acid serves as a versatile building block in medicinal chemistry, enabling efficient construction of bioactive heterocycles and pharmaceutical scaffolds. Its orthogonal functional groups—bromine for palladium-catalyzed cross-coupling and fluorine for modulating electronic properties—facilitate downstream derivatization. The compound exhibits good bench stability and is amenable to standard purification methods, making it well-suited for use in iterative synthesis campaigns targeting CNS agents and kinase inhibitors.

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-H319
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 37.3
LogP 2.2153
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-5-fluorophenylacetic acid

CAS No. 739336-26-6

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