4-Bromo-1-chloroisoquinoline

Name: 4-Bromo-1-chloroisoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 66728-98-1
Cat. No. CS-D1629
Purity≥95%
MDL No.MFCD00234469

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 66728-98-1

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Description

4-Bromo-1-chloroisoquinoline is a halogenated isoquinoline scaffold featuring complementary reactive sites for cross-coupling and functionalization. The electron-deficient ring system enables efficient palladium-catalyzed transformations, while the strategic placement of bromo and chloro groups allows sequential derivatization. This compound serves as a key intermediate in medicinal chemistry and materials science, offering predictable reactivity profiles under standard conditions.

Application

4-Bromo-1-chloroisoquinoline serves as a versatile building block for transition-metal-catalyzed cross-coupling reactions, enabling the efficient construction of complex isoquinoline scaffolds. The orthogonal reactivity of bromo and chloro substituents facilitates sequential functionalization, while the molecule exhibits excellent bench stability and compatibility with standard purification methods. This compound functions as a key intermediate in the synthesis of biologically active heterocycles and pharmaceutical candidates.

General Information

CAS No. 66728-98-1
Cat. No. CS-D1629
Purity ≥95%
MDL No. MFCD00234469
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight None
Synonym(s) 1-Chloro-4-bromoisoquinoline; 4-Brom-1-chlorisochinolin
SMILES ClC1=NC=C(Br)C2=C1C=CC=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

Quality Control

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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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4-Bromo-1-chloroisoquinoline

CAS No. 66728-98-1

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