5-Bromo-6-fluoroisoquinoline

Name: 5-Bromo-6-fluoroisoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 1239463-43-4
Cat. No. CS-0044905
Purity≥98%
MDL No.MFCD20527917

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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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Structure of 1239463-43-4

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General Information

CAS No. 1239463-43-4
Cat. No. CS-0044905
Purity ≥98%
MDL No. MFCD20527917
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrFN
Molecular Weight 226.05
Synonym(s) 1H-Indazole,5-bromo-6-fluoro-3-methyl
SMILES FC1=C(Br)C2=C(C=NC=C2)C=C1

Description

5-Bromo-6-fluoroisoquinoline is a halogenated isoquinoline scaffold featuring complementary bromo and fluoro substituents at adjacent positions. This electron-deficient heterocycle integrates readily into cross-coupling reactions, enabling efficient access to complex pharmaceutical intermediates and functional materials under standard conditions.

Application

5-Bromo-6-fluoroisoquinoline serves as a versatile building block for constructing substituted isoquinoline scaffolds in medicinal chemistry and materials science. The orthogonal halogenation pattern enables selective cross-coupling reactions, including Pd-catalyzed Suzuki and Buchwald–Hartwig transformations, with high functional group tolerance. Its bench-stable nature and compatibility with standard purification methods facilitate efficient synthesis of complex heterocyclic architectures.

Synthesis

Route1
- In-stock
  
  1075-11-2
- ~%
- In-stock
  
  1239463-43-4
References
- ELAN PHARMACEUTICALS, INC.; SHAM, Hing, L.; KONRADI, Andrei, W.; HOM, Roy, K.; PROBST, Gary, D.; BOWERS, Simeon; TRUONG, Anh; NEITZ, R., Jeffrey; SEALY, Jennifer; TOTH, Gergely Patent: WO2010/91310 A1, 2010 ; Location in patent: Page/Page column 177 ; WO 2010/091310 A1

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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5-Bromo-6-fluoroisoquinoline

CAS No. 1239463-43-4

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