4-Bromo-7-chloroisoquinoline

Name: 4-Bromo-7-chloroisoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 953421-72-2
Cat. No. CS-0227230
Purity≥97%
MDL No.MFCD21604719

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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 953421-72-2

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Description

4-Bromo-7-chloroisoquinoline is a halogenated isoquinoline scaffold featuring complementary reactive sites for cross-coupling and functionalization. The bromine at the 4-position enables palladium-catalyzed transformations, while the chlorine at the 7-position offers orthogonal reactivity. This dual-halogenation pattern supports sequential derivatization in medicinal chemistry and materials synthesis.

Application

4-Bromo-7-chloroisoquinoline serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The bromine at the 4-position facilitates efficient Suzuki, Stille, or Negishi coupling, while the chlorine at the 7-position offers orthogonal reactivity for sequential functionalization. Its stability under standard reaction conditions and ease of purification make it well-suited for iterative synthesis of complex heterocyclic scaffolds and API intermediates.

General Information

CAS No. 953421-72-2
Cat. No. CS-0227230
Purity ≥97%
MDL No. MFCD21604719
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight 242.50
Synonym(s) 4-Bromo-7-chloro-isoquinoline
SMILES ClC1=CC2=C(C=C1)C(Br)=CN=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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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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-7-chloroisoquinoline

CAS No. 953421-72-2

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