3-Bromo-5-(trifluoromethyl)phenylacetic acid

Name: 3-Bromo-5-(trifluoromethyl)phenylacetic acid
Brand: ChemScene
Availability: InStock
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CAS No. 1161362-01-1
Cat. No. CS-W006029
Purity≥97%
MDL No.MFCD13194218

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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3-Bromo-5-(trifluoromethyl)phenylacetic acid|CS-W006029

Structure of 1161362-01-1

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General Information

CAS No. 1161362-01-1
Cat. No. CS-W006029
Purity ≥97%
MDL No. MFCD13194218
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆BrF₃O₂
Molecular Weight 283.04
Synonym(s) 3-Bromo-5-(trifluoromethyl)benzeneacetic acid
SMILES BrC1=CC(=CC(=C1)CC(=O)O)C(F)(F)F

Description

This trifluoromethyl-substituted phenylacetic acid delivers a potent electron-withdrawing group flanking a reactive carboxylic acid, enabling efficient coupling in cross-coupling and functionalization workflows. Its moisture-tolerant stability simplifies handling in synthetic sequences requiring precise aryl modifications.

Application

3-Bromo-5-(trifluoromethyl)phenylacetic acid serves as a versatile building block for the synthesis of bioactive molecules, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo substituent and carboxylic acid functionality. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the phenylacetic acid scaffold provides a platform for further derivatization in medicinal chemistry. The compound exhibits good bench stability and is readily purified by recrystallization or chromatography, facilitating integration into standard synthetic workflows.

Synthesis

Route1
- 1161362-00-0
- ~%
- In-stock
  
  1161362-01-1
References
- WO2009/75874 A1, ; Page/Page column 103-104 ; WO 2009/075874 A1

Safety Information

Download SDS

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

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 3.095
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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3-Bromo-5-(trifluoromethyl)phenylacetic acid

CAS No. 1161362-01-1

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