2-Chloro-3-fluorobenzeneacetic acid

Name: 2-Chloro-3-fluorobenzeneacetic acid
Brand: ChemScene
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CAS No. 1000523-07-8
Cat. No. CS-W023170
Purity≥98%
MDL No.MFCD09925136

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Chloro-3-fluorobenzeneacetic acid|CS-W023170

Structure of 1000523-07-8

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General Information

CAS No. 1000523-07-8
Cat. No. CS-W023170
Purity ≥98%
MDL No. MFCD09925136
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClFO₂
Molecular Weight 188.58
Synonym(s) 2-(2-Chloro-3-fluorophenyl)acetic acid
SMILES O=C(O)CC1=CC=CC(F)=C1Cl

Description

2-Chloro-3-fluorobenzeneacetic acid features a strategically positioned chloro and fluoro substituent on the benzene ring, enhancing electron-withdrawal and metabolic stability. This configuration supports direct incorporation into bioactive scaffolds, particularly in medicinal chemistry campaigns targeting CNS agents and kinase inhibitors. The carboxylic acid moiety enables facile derivatization under standard coupling conditions.

Application

2-Chloro-3-fluorobenzeneacetic acid serves as a valuable building block in medicinal chemistry, enabling the synthesis of bioactive compounds through standard coupling and functionalization reactions. Its ortho-halogenated aromatic core provides enhanced metabolic stability and modulates electronic properties for target engagement. The carboxylic acid functionality facilitates direct derivatization or incorporation into peptide-like scaffolds. This compound exhibits excellent bench stability and compatibility with common purification methods, making it well-suited for scalable synthesis 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-H315-H319-H335
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 2.1062
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-3-fluorobenzeneacetic acid

CAS No. 1000523-07-8

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