3-Bromo-7-chloroisoquinoline

Name: 3-Bromo-7-chloroisoquinoline
Brand: ChemScene
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CAS No. 1246552-90-8
Cat. No. CS-0082163
Molecule weightNone
Purity≥98%
MDL No.MFCD18250414

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General Information

CAS No. 1246552-90-8
Cat. No. CS-0082163
Purity ≥98%
MDL No. MFCD18250414
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrClN
Molecular Weight None
Synonym(s) None
SMILES ClC1=CC2=C(C=C1)C=C(Br)N=C2

Description

3-Bromo-7-chloroisoquinoline is a halogenated isoquinoline scaffold featuring complementary reactive sites for cross-coupling and functionalization. The bromine at the 3-position enables palladium-catalyzed transformations, while the chlorine at the 7-position offers stability and orthogonal reactivity. This dual-halogenation pattern facilitates precise molecular diversification in medicinal chemistry and materials synthesis.

Application

3-Bromo-7-chloroisoquinoline serves as a versatile building block for constructing substituted isoquinoline scaffolds in medicinal chemistry and materials science. The bromo group enables palladium-catalyzed cross-coupling reactions, while the chloro substituent offers orthogonal reactivity under appropriate conditions. Its stability under standard bench handling and compatibility with diverse functional groups facilitate efficient synthesis of complex heterocycles and target molecules.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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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3-Bromo-7-chloroisoquinoline

CAS No. 1246552-90-8

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