5-Bromoisoquinolin-1(2H)-one

Name: 5-Bromoisoquinolin-1(2H)-one
Brand: ChemScene
Availability: InStock
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CAS No. 190777-77-6
Cat. No. CS-W006094
Purity≥95%
MDL No.None

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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 190777-77-6

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Description

5-Bromoisoquinolin-1(2H)-one features a brominated isoquinolinone core with enhanced electrophilicity at the C5 position, enabling direct functionalization in cross-coupling reactions. This bench-stable heterocycle integrates readily into complex molecular architectures, offering a robust scaffold for medicinal chemistry and materials synthesis.

Application

5-Bromoisoquinolin-1(2H)-one serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine handle. The isoquinolinone core provides inherent stability and favorable electronic properties for further functionalization. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for constructing complex heterocyclic scaffolds relevant to drug discovery.

General Information

CAS No. 190777-77-6
Cat. No. CS-W006094
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆BrNO
Molecular Weight 224.05
Synonym(s) 5-bromoisoquinolin-1-ol
SMILES O=C1NC=CC2=C1C=CC=C2Br

Computational Chemistry Data

TPSA 32.86
LogP 2.2906
H_Acceptors 1
H_Donors 1
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 Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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5-Bromoisoquinolin-1(2H)-one

CAS No. 190777-77-6

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