5-Bromoisobenzofuran-1,3-dione

Name: 5-Bromoisobenzofuran-1,3-dione
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 86-90-8
Cat. No. CS-W019549
Purity≥97%
MDL No.MFCD00191323

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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-Bromoisobenzofuran-1,3-dione|CS-W019549

Structure of 86-90-8

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Description

5-Bromoisobenzofuran-1,3-dione is a brominated bicyclic diketone featuring a reactive α,β-unsaturated system. This electron-deficient scaffold integrates readily into cycloaddition and cross-coupling reactions, serving as a stable, bench-ready building block for complex heterocyclic synthesis.

Application

5-Bromoisobenzofuran-1,3-dione serves as a versatile building block in synthetic organic chemistry, enabling regioselective functionalization at the 5-position via palladium-catalyzed cross-coupling reactions. Its electron-deficient quinone core enhances reactivity in nucleophilic substitution and cycloaddition processes, while maintaining bench stability under standard handling conditions. The bromo group facilitates downstream derivatization, making it valuable for constructing complex heterocyclic scaffolds and advanced intermediates in medicinal chemistry and materials science.

General Information

CAS No. 86-90-8
Cat. No. CS-W019549
Purity ≥97%
MDL No. MFCD00191323
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₃BrO₃
Molecular Weight 227.01
Synonym(s) 5-Bromo-2-Benzofuran-1,3-Dione
SMILES O=C1OC(C2=C1C=CC(Br)=C2)=O

Computational Chemistry Data

TPSA 43.37
LogP 1.7597
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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5-Bromoisobenzofuran-1,3-dione

CAS No. 86-90-8

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