3-Bromo-8-chloroisoquinoline

Name: 3-Bromo-8-chloroisoquinoline
Brand: ChemScene
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CAS No. 1276056-76-8
Cat. No. CS-0136434
Purity≥95%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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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. 1276056-76-8
Cat. No. CS-0136434
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight 242.50
Synonym(s) 3-Bromo-8-chloro-2-azanaphthalene
SMILES ClC1=CC=CC2=C1C=NC(Br)=C2

Description

3-Bromo-8-chloroisoquinoline is a halogenated isoquinoline scaffold featuring complementary reactive sites for cross-coupling. The bromine at C3 and chlorine at C8 enable sequential functionalization, offering strategic access to complex heterocyclic architectures. This electron-deficient framework integrates readily into medicinal chemistry libraries and catalytic transformation workflows.

Application

3-Bromo-8-chloroisoquinoline serves as a versatile building block for the synthesis of functionalized isoquinoline scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the chloro substituent offers orthogonal reactivity in selective transformations. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient access to complex heterocycles relevant in medicinal chemistry and materials science.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

TPSA 12.89
LogP 3.6507
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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3-Bromo-8-chloroisoquinoline

CAS No. 1276056-76-8

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