5-Chloro-3-(4-chlorophenyl)isoxazole

Name: 5-Chloro-3-(4-chlorophenyl)isoxazole
Brand: ChemScene
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CAS No. 51726-07-9
Cat. No. CS-0616348
Purity≥95%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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5-Chloro-3-(4-chlorophenyl)isoxazole|CS-0616348

Structure of 51726-07-9

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Description

5-Chloro-3-(4-chlorophenyl)isoxazole features a rigid, electron-deficient isoxazole core flanked by a para-chlorophenyl group, enhancing its stability and suitability for cross-coupling reactions. This bench-stable heterocycle integrates readily into pharmaceutical scaffolds and serves as a key building block in synthetic medicinal chemistry.

Application

5-Chloro-3-(4-chlorophenyl)isoxazole serves as a versatile building block in medicinal chemistry, enabling the construction of biologically relevant heterocyclic scaffolds. Its dual chlorinated substituents provide sites for palladium-catalyzed cross-coupling reactions, facilitating the assembly of complex arylated architectures. The isoxazole core exhibits good bench stability and functional group tolerance, supporting efficient incorporation into diverse molecular frameworks with minimal purification challenges.

General Information

CAS No. 51726-07-9
Cat. No. CS-0616348
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅Cl₂NO
Molecular Weight 214.05
Synonym(s) None
SMILES ClC1=CC=C(C2=NOC(Cl)=C2)C=C1

Computational Chemistry Data

TPSA 26.03
LogP 3.6484
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Chloro-3-(4-chlorophenyl)isoxazole

CAS No. 51726-07-9

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