4-Bromo-5-chloroisoquinoline

Name: 4-Bromo-5-chloroisoquinoline
Brand: ChemScene
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CAS No. 1256787-17-3
Cat. No. CS-0146917
Purity≥98%
MDL No.MFCD18260470

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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 1256787-17-3

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General Information

CAS No. 1256787-17-3
Cat. No. CS-0146917
Purity ≥98%
MDL No. MFCD18260470
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight 242.50
Synonym(s) None
SMILES BrC1=CN=CC2=C1C(Cl)=CC=C2

Description

4-Bromo-5-chloroisoquinoline is a halogenated isoquinoline scaffold featuring complementary reactive sites for cross-coupling and functionalization. The electron-deficient ring system enhances compatibility with palladium-catalyzed transformations, while the ortho-halogen arrangement enables selective derivatization. This compound serves as a key building block in medicinal chemistry and materials synthesis.

Application

4-Bromo-5-chloroisoquinoline serves as a versatile building block for the synthesis of functionalized isoquinoline scaffolds. Its complementary halogen substituents enable sequential cross-coupling reactions, facilitating access to complex biaryl and heterocyclic architectures. The compound exhibits excellent bench stability and compatibility with standard palladium-catalyzed transformations, supporting efficient diversification in medicinal chemistry and materials science applications.

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-P280-P302+P352

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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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4-Bromo-5-chloroisoquinoline

CAS No. 1256787-17-3

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