5-Bromo-3-chlorobenzo[d]isoxazole

Name: 5-Bromo-3-chlorobenzo[d]isoxazole
Brand: ChemScene
Availability: InStock
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CAS No. 401567-43-9
Cat. No. CS-0059212
Purity≥97%
MDL No.None

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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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5-Bromo-3-chlorobenzo[d]isoxazole|CS-0059212

Structure of 401567-43-9

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Description

5-Bromo-3-chlorobenzo[d]isoxazole features a fused isoxazole ring system with strategic halogen substitution, enabling direct functionalization in cross-coupling and heterocycle elaboration. This electron-deficient scaffold delivers high reactivity under standard conditions while maintaining bench-stable handling properties.

Application

5-Bromo-3-chlorobenzo[d]isoxazole serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its complementary halogenation pattern enables sequential cross-coupling reactions, facilitating efficient access to biaryl architectures. The molecule exhibits excellent bench stability and compatibility with palladium-catalyzed transformations, including Suzuki-Miyaura and Stille couplings, under standard reaction conditions.

General Information

CAS No. 401567-43-9
Cat. No. CS-0059212
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClNO
Molecular Weight 232.46
Synonym(s) None
SMILES ClC1=NOC2=C1C=C(Br)C=C2

Computational Chemistry Data

TPSA 26.03
LogP 3.2437
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisoxazole compounds

Key Words

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5-Bromo-3-chlorobenzo[d]isoxazole

CAS No. 401567-43-9

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