8-Bromo-5-fluoroisoquinoline

Name: 8-Bromo-5-fluoroisoquinoline
Brand: ChemScene
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CAS No. 1378874-27-1
Cat. No. CS-0142190
Purity≥95%
MDL No.MFCD11846307

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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+
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Structure of 1378874-27-1

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General Information

CAS No. 1378874-27-1
Cat. No. CS-0142190
Purity ≥95%
MDL No. MFCD11846307
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=CC=C(Br)C2=C1C=CN=C2

Description

8-Bromo-5-fluoroisoquinoline is a halogenated isoquinoline scaffold featuring complementary bromo and fluoro substituents at the 8- and 5-positions, respectively. This electron-deficient heterocycle enables selective cross-coupling reactions and serves as a key building block in medicinal chemistry for targeted kinase inhibitors and fluorescent probes.

Application

8-Bromo-5-fluoroisoquinoline serves as a versatile heterocyclic building block for medicinal chemistry and catalytic cross-coupling workflows. The orthogonal bromo and fluoro substituents enable sequential functionalization via Pd-catalyzed coupling reactions, with the fluoro group offering enhanced stability and directed metalation potential. Bench-stable and compatible with standard purification methods, it facilitates efficient access to substituted isoquinoline scaffolds relevant to kinase inhibitor and CNS-targeted compound development.

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-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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8-Bromo-5-fluoroisoquinoline

CAS No. 1378874-27-1

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