4-Bromo-7-fluoroisoquinoline

Name: 4-Bromo-7-fluoroisoquinoline
Brand: ChemScene
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CAS No. 1416500-77-0
Cat. No. CS-0188129
Purity≥95%
MDL No.MFCD28661639

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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. 1416500-77-0
Cat. No. CS-0188129
Purity ≥95%
MDL No. MFCD28661639
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrFN
Molecular Weight 226.05
Synonym(s) None
SMILES C1=C(C=C2C=NC=C(C2=C1)Br)F

Description

4-Bromo-7-fluoroisoquinoline is a halogenated isoquinoline scaffold featuring complementary electrophilic and nucleophilic handles. This electron-deficient heterocycle integrates readily into cross-coupling reactions, enabling rapid access to complex nitrogen-containing architectures in medicinal chemistry and materials synthesis.

Application

4-Bromo-7-fluoroisoquinoline serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The bromo group enables palladium-catalyzed cross-coupling reactions, while the fluorine substituent enhances metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with standard coupling protocols facilitate efficient access to complex isoquinoline-based scaffolds in medicinal chemistry and process development 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-P280-P302+P352

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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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4-Bromo-7-fluoroisoquinoline

CAS No. 1416500-77-0

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