7-Bromobenzo[d]isoxazole

Name: 7-Bromobenzo[d]isoxazole
Brand: ChemScene
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CAS No. 1260751-81-2
Cat. No. CS-0054119
Molecule weight198.02
Purity≥97%
MDL No.MFCD11520894

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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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General Information

CAS No. 1260751-81-2
Cat. No. CS-0054119
Purity ≥97%
MDL No. MFCD11520894
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrNO
Molecular Weight 198.02
Synonym(s) None
SMILES BrC1=CC=CC2=C1ON=C2

Description

7-Bromobenzo[d]isoxazole is a halogenated heterocyclic scaffold featuring a bromine substituent at the 7-position, enabling direct functionalization in cross-coupling reactions. The fused isoxazole ring imparts high thermal stability and electronic modulation, while the bromine facilitates efficient palladium-catalyzed transformations. This compound serves as a key building block in medicinal chemistry and materials science, particularly for constructing complex aromatic systems with tailored photophysical and electronic properties under standard conditions.

Application

7-Bromobenzo[d]isoxazole serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions for the construction of biaryl architectures. The bromine substituent provides high reactivity in standard Suzuki, Stille, and Negishi coupling protocols, while the benzo[d]isoxazole core offers excellent stability under diverse reaction conditions. Its functional group tolerance and ease of purification make it well-suited for medicinal chemistry campaigns and process-scale synthesis.

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-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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7-Bromobenzo[d]isoxazole

CAS No. 1260751-81-2

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