6-Bromoisoquinolin-1-one

Name: 6-Bromoisoquinolin-1-one
Brand: ChemScene
Availability: InStock
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CAS No. 82827-09-6
Cat. No. CS-B0782
Purity≥95%
MDL No.MFCD07374394

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 82827-09-6

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Description

6-Bromoisoquinolin-1-one features a bromine substituent at the 6-position of an isoquinolin-1-one core, delivering enhanced reactivity for cross-coupling applications. The electron-deficient carbonyl and halogen handle enable efficient functionalization in palladium-catalyzed transformations. This bench-stable compound integrates readily into complex molecular architectures.

Application

6-Bromoisoquinolin-1-one serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling direct functionalization at the C6 position via palladium-catalyzed cross-coupling reactions. The isoquinolin-1-one core provides a rigid, planar scaffold with inherent hydrogen-bonding capacity and moderate lipophilicity, facilitating its use in drug discovery campaigns. Bench-stable and readily purified by flash chromatography or recrystallization, it exhibits broad compatibility with nucleophiles, organometallic reagents, and transition-metal catalysis under standard conditions.

General Information

CAS No. 82827-09-6
Cat. No. CS-B0782
Purity ≥95%
MDL No. MFCD07374394
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-2H-isoquinolin-1-one; 6-bromoisoquinolin-1(2H)-one
SMILES O=C1NC=CC2=C1C=CC(Br)=C2

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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6-Bromoisoquinolin-1-one

CAS No. 82827-09-6

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