2-(4-Chlorophenyl)-2,2-difluoroacetic acid

Name: 2-(4-Chlorophenyl)-2,2-difluoroacetic acid
Brand: ChemScene
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CAS No. 475301-73-6
Cat. No. CS-0037499
Molecule weight206.57
Purity≥98%
MDL No.MFCD11007727

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Excepted Quantity	$0.00
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-(4-Chlorophenyl)-2,2-difluoroacetic acid|CS-0037499

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General Information

CAS No. 475301-73-6
Cat. No. CS-0037499
Purity ≥98%
MDL No. MFCD11007727
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅ClF₂O₂
Molecular Weight 206.57
Synonym(s) 2,2-Difluoro-2-(4-chlorophenyl)acetic acid
SMILES C1=C(C=CC(=C1)Cl)C(C(=O)O)(F)F

Description

2-(4-Chlorophenyl)-2,2-difluoroacetic acid features a fluorinated acetic acid core linked to a para-chlorophenyl group, delivering enhanced metabolic stability and lipophilicity. This structural motif enables efficient incorporation into bioactive molecules, particularly in medicinal chemistry scaffolds requiring halogenated aromatic substitution and resistance to enzymatic degradation.

Application

2-(4-Chlorophenyl)-2,2-difluoroacetic acid serves as a key building block in the synthesis of fluorinated aromatic compounds and bioactive molecules. Its trifluoromethyl-like electronic profile enhances metabolic stability while maintaining synthetic accessibility. The molecule exhibits excellent bench stability, facilitates straightforward derivatization via esterification or amidation, and functions effectively in coupling reactions for pharmaceutical and agrochemical scaffold construction.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 37.3
LogP 2.5164
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-(4-Chlorophenyl)-2,2-difluoroacetic acid

CAS No. 475301-73-6

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