5-Bromobenzofuran-3(2H)-one

Name: 5-Bromobenzofuran-3(2H)-one
Brand: ChemScene
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CAS No. 54450-20-3
Cat. No. CS-W019488
Purity≥97%
MDL No.MFCD06738724

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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. 54450-20-3
Cat. No. CS-W019488
Purity ≥97%
MDL No. MFCD06738724
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅BrO₂
Molecular Weight 213.03
Synonym(s) 5-Bromo-3(2H)-benzofuranone
SMILES BrC1=CC2=C(C=C1)OCC2=O

Description

5-Bromobenzofuran-3(2H)-one features a brominated benzofuran core with a ketone at the 3-position, delivering enhanced reactivity for transition-metal-catalyzed couplings. This bench-stable heterocycle integrates readily into complex scaffolds, enabling efficient access to bioactive molecules in medicinal chemistry and materials science applications.

Application

5-Bromobenzofuran-3(2H)-one serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its bromine substituent enables facile palladium-catalyzed cross-coupling reactions, while the lactone functionality offers compatibility with nucleophilic additions and reduction protocols. The compound exhibits excellent bench stability and is readily purified by recrystallization, facilitating its use in multi-step synthetic sequences.

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 26.3
LogP 2.0242
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzofuran compounds

Key Words

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5-Bromobenzofuran-3(2H)-one

CAS No. 54450-20-3

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