3-Bromo-5-chloroisoquinoline

Name: 3-Bromo-5-chloroisoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 1276056-67-7
Cat. No. CS-0063914
Purity≥98%
MDL No.None

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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 1276056-67-7

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Description

3-Bromo-5-chloroisoquinoline is a halogenated isoquinoline scaffold featuring complementary reactive sites for cross-coupling and functionalization. The bromine at the 3-position enables palladium-catalyzed coupling, while the chlorine at the 5-position offers stability and orthogonal reactivity. This dual-halogen pattern facilitates sequential transformations in complex molecule synthesis. The compound exhibits excellent bench stability and compatibility with standard reaction conditions.

Application

3-Bromo-5-chloroisoquinoline serves as a versatile building block for the construction of functionalized isoquinoline scaffolds in medicinal chemistry and materials science. The molecule enables palladium-catalyzed cross-coupling reactions due to its well-defined halogen positions, with the bromo group typically exhibiting higher reactivity than the chloro substituent. Its stability under standard reaction conditions facilitates purification and handling, making it suitable for sequential transformations in complex molecule synthesis.

General Information

CAS No. 1276056-67-7
Cat. No. CS-0063914
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight 242.50
Synonym(s) None
SMILES ClC1=CC=CC2=C1C=C(Br)N=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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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3-Bromo-5-chloroisoquinoline

CAS No. 1276056-67-7

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