8-Bromo-7-fluoroisoquinoline

Name: 8-Bromo-7-fluoroisoquinoline
Brand: ChemScene
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CAS No. 1445891-57-5
Cat. No. CS-0163358
Molecule weight226.05
Purity≥98%
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+
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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. 1445891-57-5
Cat. No. CS-0163358
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrFN
Molecular Weight 226.05
Synonym(s) None
SMILES FC1=C(Br)C2=C(C=C1)C=CN=C2

Description

8-Bromo-7-fluoroisoquinoline is a halogenated isoquinoline scaffold featuring complementary bromo and fluoro substituents at the 8- and 7-positions, respectively. This electron-deficient heterocycle enables selective cross-coupling reactions and serves as a key building block in medicinal chemistry for constructing bioactive scaffolds with enhanced metabolic stability and targeted binding affinity.

Application

8-Bromo-7-fluoroisoquinoline serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined halogen reactivity. The ortho-fluoro and bromo substituents offer complementary handles for sequential functionalization, while the isoquinoline core provides inherent rigidity and π-electron density suitable for bioactive scaffold construction. Bench-stable and compatible with standard purification methods, it facilitates efficient access to complex heterocyclic architectures relevant to drug discovery programs.

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-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 12.89
LogP 3.1364
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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8-Bromo-7-fluoroisoquinoline

CAS No. 1445891-57-5

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