6-Bromo-1-chloro-isoquinoline

Name: 6-Bromo-1-chloro-isoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 205055-63-6
Cat. No. CS-W019620
Purity≥95%
MDL No.MFCD06738661

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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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6-Bromo-1-chloro-isoquinoline|CS-W019620

Structure of 205055-63-6

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Description

6-Bromo-1-chloro-isoquinoline features a fused bicyclic core with complementary halogen substituents at positions 6 and 1, enabling selective cross-coupling reactions. The electron-deficient isoquinoline scaffold supports efficient palladium-catalyzed transformations, while the bromine and chlorine atoms offer orthogonal reactivity for sequential functionalization. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and advanced pharmaceutical building blocks.

Application

6-Bromo-1-chloro-isoquinoline serves as a versatile building block for transition-metal-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The orthogonal reactivity of the bromo and chloro substituents allows sequential functionalization under selective catalytic conditions. Its stability under standard reaction protocols and compatibility with diverse coupling partners make it a practical choice for medicinal chemistry and materials synthesis workflows.

General Information

CAS No. 205055-63-6
Cat. No. CS-W019620
Purity ≥95%
MDL No. MFCD06738661
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight 242.50
Synonym(s) 6-Bromo-1-chloroisoquinoline
SMILES ClC1=NC=CC2=C1C=CC(Br)=C2

Computational Chemistry Data

TPSA 12.89
LogP 3.6507
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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6-Bromo-1-chloro-isoquinoline

CAS No. 205055-63-6

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