2-(2-Bromo-3-fluorophenyl)acetic acid

Name: 2-(2-Bromo-3-fluorophenyl)acetic acid
Brand: ChemScene
Availability: InStock
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CAS No. 958454-33-6
Cat. No. CS-0041784
Purity≥97%
MDL No.MFCD09864672

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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-(2-Bromo-3-fluorophenyl)acetic acid|CS-0041784

Structure of 958454-33-6

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General Information

CAS No. 958454-33-6
Cat. No. CS-0041784
Purity ≥97%
MDL No. MFCD09864672
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-3-fluorobenzeneacetic acid
SMILES O=C(O)CC1=CC=CC(F)=C1Br

Description

2-(2-Bromo-3-fluorophenyl)acetic acid features a brominated and fluorinated aromatic core linked to a carboxylic acid-bearing acetic side chain. This structure enables direct incorporation into pharmaceutical intermediates and bioactive molecule scaffolds. The ortho-bromine and meta-fluorine substituents provide distinct electronic and steric profiles, enhancing reactivity in cross-coupling and functionalization processes. The compound exhibits robust stability under standard handling conditions and integrates readily into synthetic sequences requiring halogen-directed derivatization.

Application

2-(2-Bromo-3-fluorophenyl)acetic acid serves as a versatile building block for constructing biologically active scaffolds, particularly in medicinal chemistry and agrochemical research. Its bromo and fluoro substituents enable palladium-catalyzed cross-coupling reactions and offer enhanced metabolic stability. The carboxylic acid group facilitates direct derivatization or incorporation into peptide-like structures, while the molecule exhibits good bench stability and ease of purification in standard synthetic 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 : 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-(2-Bromo-3-fluorophenyl)acetic acid

CAS No. 958454-33-6

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