2-Chloro-5-fluorophenylacetic acid

Name: 2-Chloro-5-fluorophenylacetic acid
Brand: ChemScene
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CAS No. 177985-33-0
Cat. No. CS-W016770
Purity≥98%
MDL No.MFCD01016155

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Type	HazMat Fee
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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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2-Chloro-5-fluorophenylacetic acid|CS-W016770

Structure of 177985-33-0

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General Information

CAS No. 177985-33-0
Cat. No. CS-W016770
Purity ≥98%
MDL No. MFCD01016155
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClFO₂
Molecular Weight 188.58
Synonym(s) 5-Fluoro-2,1,3-benzothiadiazole
SMILES O=C(O)CC1=CC(F)=CC=C1Cl

Description

2-Chloro-5-fluorophenylacetic acid features a strategically positioned chloro and fluoro substituent on the phenyl ring, enhancing electronic properties for targeted coupling reactions. This bench-stable derivative integrates readily into pharmaceutical intermediates and bioactive molecule scaffolds, offering improved solubility and reactivity in synthetic workflows.

Application

2-Chloro-5-fluorophenylacetic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive scaffolds through standard coupling and functionalization reactions. Its orthogonal halogenation pattern facilitates selective cross-coupling processes, while the carboxylic acid group supports direct derivatization or activation for amide bond formation. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis and process development 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 : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 37.3
LogP 2.1062
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

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-Chloro-5-fluorophenylacetic acid

CAS No. 177985-33-0

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