2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid

Name: 2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid
Brand: ChemScene
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CAS No. 601513-26-2
Cat. No. CS-0100012
Purity≥98%
MDL No.MFCD13194288

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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid|CS-0100012

Structure of 601513-26-2

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Description

This acetic acid derivative features a chlorinated trifluoromethylphenyl moiety that imparts enhanced lipophilicity and metabolic stability. It serves as a key building block in the synthesis of pharmaceutical intermediates, particularly in kinase inhibitors and bioactive heterocycles. The ortho-chloro and para-trifluoromethyl groups synergistically modulate electronic properties and steric bulk, enabling precise tuning of molecular reactivity.

Application

2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of bioactive molecules through established coupling reactions. Its trifluoromethyl and chlorophenyl groups confer enhanced metabolic stability and lipophilicity, while the carboxylic acid functionality facilitates direct derivatization or salt formation. The compound exhibits good bench stability and is compatible with standard purification methods, supporting efficient integration into multi-step synthetic sequences.

General Information

CAS No. 601513-26-2
Cat. No. CS-0100012
Purity ≥98%
MDL No. MFCD13194288
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆ClF₃O₂
Molecular Weight 238.59
Synonym(s) 2-Chloro-4-trifluoromethylphenylacetic acid
SMILES O=C(O)CC1=CC=C(C(F)(F)F)C=C1Cl

Computational Chemistry Data

TPSA 37.3
LogP 2.9859
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

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 : H315-H319-H335
Precautionary Statements : P261-P280-P304+P340-P405-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(2-Chloro-4-(trifluoromethyl)phenyl)acetic acid

CAS No. 601513-26-2

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