4-Bromobenzo[d]isoxazole

Name: 4-Bromobenzo[d]isoxazole
Brand: ChemScene
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CAS No. 1126848-34-7
Cat. No. CS-W018666
Purity≥97%
MDL No.MFCD09027766

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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 1126848-34-7

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General Information

CAS No. 1126848-34-7
Cat. No. CS-W018666
Purity ≥97%
MDL No. MFCD09027766
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrNO
Molecular Weight 198.02
Synonym(s) 4-bromo-1,2-benzoxazole
SMILES BrC1=CC=CC2=C1C=NO2

Description

4-Bromobenzo[d]isoxazole is a bench-stable heterocyclic building block featuring a bromine substituent at the para position relative to the isoxazole ring. This configuration enables direct functionalization in cross-coupling reactions, while the electron-deficient isoxazole core enhances reactivity in transition-metal-catalyzed transformations.

Application

4-Bromobenzo[d]isoxazole serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromine substituent. The isoxazole ring imparts excellent bench stability and functional group tolerance, facilitating incorporation into complex molecular architectures. Its rigid, planar structure supports applications in medicinal chemistry and materials science, particularly in the construction of heterocyclic scaffolds via standard coupling protocols.

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 2.5903
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisoxazole compounds

Key Words

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4-Bromobenzo[d]isoxazole

CAS No. 1126848-34-7

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