1-Bromo-7-chloroisoquinoline

Name: 1-Bromo-7-chloroisoquinoline
Brand: ChemScene
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CAS No. 1196155-73-3
Cat. No. CS-0041516
Purity≥95%
MDL No.MFCD13190245

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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. 1196155-73-3
Cat. No. CS-0041516
Purity ≥95%
MDL No. MFCD13190245
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight 242.50
Synonym(s) 1-BROMO-7-CHLORO-ISOQUINOLINE
SMILES ClC1=CC2=C(C=C1)C=CN=C2Br

Description

1-Bromo-7-chloroisoquinoline is a halogenated isoquinoline derivative featuring complementary reactive sites for cross-coupling and functionalization. The bromine at position 1 enables palladium-catalyzed transformations, while the chlorine at position 7 offers orthogonal reactivity or stability under selective conditions. This dual-halogen pattern facilitates modular synthesis in medicinal chemistry and materials science.

Application

1-Bromo-7-chloroisoquinoline serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to the reactive bromine at the 1-position. The electron-withdrawing chlorine at the 7-position enhances electrophilicity and improves regioselectivity in subsequent functionalizations. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for modular construction of complex isoquinoline-based scaffolds in API development.

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

Quality Control

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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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1-Bromo-7-chloroisoquinoline

CAS No. 1196155-73-3

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