4-Bromo-8-nitroisoquinoline

Name: 4-Bromo-8-nitroisoquinoline
Brand: ChemScene
Availability: InStock
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CAS No. 677702-62-4
Cat. No. CS-0186965
Purity≥98%
MDL No.None

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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 677702-62-4

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Description

4-Bromo-8-nitroisoquinoline is a functionalized isoquinoline scaffold featuring a bromine atom at the 4-position and a nitro group at the 8-position. This electron-deficient heterocycle serves as a key building block for transition-metal-catalyzed cross-coupling reactions, enabling efficient access to complex molecular architectures in medicinal chemistry and materials science.

Application

4-Bromo-8-nitroisoquinoline serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The bromine at C4 enables palladium-catalyzed cross-coupling reactions, while the nitro group at C8 facilitates sequential functionalization via reduction or nucleophilic substitution. Its stability under standard reaction conditions and compatibility with diverse coupling partners make it well-suited for constructing complex isoquinoline-based scaffolds in API development.

General Information

CAS No. 677702-62-4
Cat. No. CS-0186965
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrN₂O₂
Molecular Weight 253.05
Synonym(s) 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4H-BENZO[D]IMIDAZOLE
SMILES O=[N+](C1=CC=CC2=C1C=NC=C2Br)[O-]

Computational Chemistry Data

TPSA 56.03
LogP 2.9055
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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4-Bromo-8-nitroisoquinoline

CAS No. 677702-62-4

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