6-Bromo-5-fluoroisoquinolin-1(2H)-one

Name: 6-Bromo-5-fluoroisoquinolin-1(2H)-one
Brand: ChemScene
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CAS No. 1445564-00-0
Cat. No. CS-0120545
Purity≥96%
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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6-Bromo-5-fluoroisoquinolin-1(2H)-one|CS-0120545

Structure of 1445564-00-0

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General Information

CAS No. 1445564-00-0
Cat. No. CS-0120545
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrFNO
Molecular Weight 242.04
Synonym(s) 1(2H)-Isoquinolinone, 6-bromo-5-fluoro-
SMILES O=C1NC=CC2=C1C=CC(Br)=C2F

Description

6-Bromo-5-fluoroisoquinolin-1(2H)-one features a fused heterocyclic core with strategically positioned halogen substituents, enabling direct functionalization in cross-coupling reactions. The electron-deficient scaffold supports efficient metal-catalyzed transformations, while the bench-stable nature facilitates handling under standard conditions.

Application

6-Bromo-5-fluoroisoquinolin-1(2H)-one serves as a versatile building block for heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions at the bromo position while retaining reactivity at the carbonyl and fluoro sites. Its bench-stable nature, combined with orthogonal functional group tolerance, facilitates efficient access to substituted isoquinoline scaffolds relevant to medicinal chemistry and materials science.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 32.86
LogP 2.4297
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Drug Discovery Cancer PARP

Key Words

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6-Bromo-5-fluoroisoquinolin-1(2H)-one

CAS No. 1445564-00-0

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