4-Bromo-1,7-dichloroisoquinoline

Name: 4-Bromo-1,7-dichloroisoquinoline
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 953421-74-4
Cat. No. CS-M1530
Purity≥97%
MDL No.MFCD20528290

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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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4-Bromo-1,7-dichloroisoquinoline|CS-M1530

Structure of 953421-74-4

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General Information

CAS No. 953421-74-4
Cat. No. CS-M1530
Purity ≥97%
MDL No. MFCD20528290
Storage 4°C, stored under nitrogen, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₄BrCl₂N
Molecular Weight 276.94
Synonym(s) Isoquinoline,4-bromo-1,7-dichloro
SMILES ClC1=CC2=C(Cl)N=CC(Br)=C2C=C1

Description

4-Bromo-1,7-dichloroisoquinoline is a halogenated isoquinoline scaffold featuring strategic substitution at the 4-, 1-, and 7-positions. This electron-deficient heterocycle integrates readily into cross-coupling reactions, serving as a key building block for pharmaceutical intermediates and functional materials. The bromine atom enables palladium-catalyzed transformations, while the dichloro pattern enhances molecular polarity and reactivity profile.

Application

4-Bromo-1,7-dichloroisoquinoline serves as a versatile building block for the synthesis of substituted isoquinoline scaffolds commonly found in medicinal chemistry and agrochemical research. The bromine at C4 enables palladium-catalyzed cross-coupling reactions, while the 1,7-dichloro substitution pattern provides orthogonal reactivity and enhanced stability under standard reaction conditions. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient access to complex heterocyclic architectures.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 12.89
LogP 4.3041
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-1,7-dichloroisoquinoline

CAS No. 953421-74-4

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