3-(3-Chloropropyl)-6-fluorobenzo[d]isoxazole

Name: 3-(3-Chloropropyl)-6-fluorobenzo[d]isoxazole
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CAS No. 84243-02-7
Cat. No. CS-0909393
Molecule weight213.64
Purity≥95%
MDL No.None

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3-(3-Chloropropyl)-6-fluorobenzo[d]isoxazole|CS-0909393

Structure of 84243-02-7

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General Information

CAS No. 84243-02-7
Cat. No. CS-0909393
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉ClFNO
Molecular Weight 213.64
Synonym(s) None
SMILES FC1=CC(ON=C2CCCCl)=C2C=C1

Description

This fluorinated benzo[d]isoxazole integrates a 3-chloropropyl side chain, enabling efficient conjugation and functionalization. The electron-deficient aromatic core enhances reactivity in cross-coupling and nucleophilic substitution processes. Bench-stable under standard conditions, it serves as a modular building block for advanced synthetic applications.

Application

3-(3-Chloropropyl)-6-fluorobenzo[d]isoxazole serves as a versatile building block for medicinal chemistry and materials science, enabling efficient incorporation of fluorinated aromatic motifs into complex architectures. The chloropropyl side chain facilitates nucleophilic substitution and transition-metal-catalyzed coupling reactions, while the benzo[d]isoxazole core provides metabolic stability and favorable electronic properties. Its bench-stable nature and compatibility with standard purification methods make it well-suited for scalable synthesis and high-throughput screening applications.

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 26.03
LogP 3.1383
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisoxazole compounds

Key Words

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3-(3-Chloropropyl)-6-fluorobenzo[d]isoxazole

CAS No. 84243-02-7

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