6-Bromoisoquinolin-3(2H)-one

Name: 6-Bromoisoquinolin-3(2H)-one
Brand: ChemScene
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CAS No. 1031927-91-9
Cat. No. CS-W009202
Purity≥97%
MDL No.MFCD10700062

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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. 1031927-91-9
Cat. No. CS-W009202
Purity ≥97%
MDL No. MFCD10700062
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆BrNO
Molecular Weight 224.05
Synonym(s) 6-Bromo-3-hydroxyisoquinoline
SMILES O=C1NC=C2C=CC(Br)=CC2=C1

Description

6-Bromoisoquinolin-3(2H)-one features a brominated isoquinolinone core with a reactive ketone moiety, enabling direct functionalization in cross-coupling and heterocycle synthesis. This bench-stable scaffold integrates readily into pharmaceutical intermediates and materials precursors, offering high compatibility with palladium-catalyzed transformations and robust performance under standard reaction conditions.

Application

6-Bromoisoquinolin-3(2H)-one serves as a versatile building block for the synthesis of isoquinoline-based pharmaceuticals and functional materials. The bromine at the 6-position enables palladium-catalyzed cross-coupling reactions, while the lactam carbonyl offers site-specific derivatization. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate efficient access to complex heterocyclic architectures in medicinal chemistry and materials science workflows.

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 32.86
LogP 2.2906
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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6-Bromoisoquinolin-3(2H)-one

CAS No. 1031927-91-9

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