7-Bromo-3-chloroisoquinoline

Name: 7-Bromo-3-chloroisoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 1029720-65-7
Cat. No. CS-0044862
Purity≥97%
MDL No.MFCD11044699

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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. 1029720-65-7
Cat. No. CS-0044862
Purity ≥97%
MDL No. MFCD11044699
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight 242.50
Synonym(s) None
SMILES ClC1=CC2=C(C=N1)C=C(Br)C=C2

Description

7-Bromo-3-chloroisoquinoline is a halogenated isoquinoline scaffold featuring complementary reactive sites for cross-coupling and functionalization. The bromine at the 7-position enables palladium-catalyzed coupling, while the chlorine at the 3-position offers orthogonal reactivity. This dual halogenation pattern facilitates sequential derivatization in medicinal chemistry and materials synthesis. The molecule exhibits robust stability under standard reaction conditions and integrates efficiently into complex heterocyclic architectures.

Application

7-Bromo-3-chloroisoquinoline serves as a versatile building block in medicinal chemistry and catalytic cross-coupling reactions. The ortho-halogenated scaffold enables sequential functionalization via Pd-catalyzed coupling, with the bromo group typically reacting first under mild conditions. Its stability under standard reaction protocols and compatibility with diverse nucleophiles make it ideal for constructing complex heterocyclic architectures and drug-like scaffolds.

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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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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7-Bromo-3-chloroisoquinoline

CAS No. 1029720-65-7

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