5-Chloro-3-phenylisoxazole

Name: 5-Chloro-3-phenylisoxazole
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CAS No. 3356-89-6
Cat. No. CS-0156348
Purity≥98%
MDL No.MFCD00046079

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
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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Structure of 3356-89-6

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Description

5-Chloro-3-phenylisoxazole features a chlorinated isoxazole core paired with a phenyl substituent, delivering enhanced stability and electron-deficient character. This scaffold integrates readily into heterocyclic architectures, enabling efficient coupling in synthetic routes targeting bioactive molecules.

Application

5-Chloro-3-phenylisoxazole serves as a versatile building block in medicinal chemistry, enabling direct incorporation of both chloro and phenyl substituents into heterocyclic scaffolds. Its reactivity facilitates nucleophilic substitution at the 5-chloro position and supports transition-metal-catalyzed coupling reactions. The isoxazole core exhibits bench stability and compatibility with common protecting groups, allowing straightforward integration into complex molecular architectures.

General Information

CAS No. 3356-89-6
Cat. No. CS-0156348
Purity ≥98%
MDL No. MFCD00046079
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆ClNO
Molecular Weight 179.61
Synonym(s) 5-chloro-3-phenyl-oxazole
SMILES C1=CC=C(C=C1)C2=NOC(=C2)Cl

Computational Chemistry Data

TPSA 26.03
LogP 2.995
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

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-P330-P362+P364-P405-P501

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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-phenylisoxazole

CAS No. 3356-89-6

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