1-Bromo-3-chloro-2-iodobenzene

Name: 1-Bromo-3-chloro-2-iodobenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 450412-28-9
Cat. No. CS-0097777
Purity≥96%
MDL No.MFCD09907935

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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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*For research and further manufacturing use only, not for direct human use.

1-Bromo-3-chloro-2-iodobenzene|CS-0097777

Structure of 450412-28-9

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Description

1-Bromo-3-chloro-2-iodobenzene is a trihalogenated aromatic compound featuring distinct halogen substituents at adjacent positions on the benzene ring. This configuration enables selective cross-coupling reactions in transition-metal-catalyzed processes, offering predictable regiochemical outcomes. The molecule combines moderate stability with high reactivity, making it valuable for constructing complex heterocycles and functionalized biaryls under standard conditions.

Application

1-Bromo-3-chloro-2-iodobenzene serves as a versatile trihalogenated benzene building block for palladium-catalyzed cross-coupling reactions. Its orthogonal halogen reactivity enables sequential functionalization, facilitating the construction of complex biaryl and heterocyclic scaffolds. The compound exhibits good bench stability and is compatible with standard coupling conditions, offering predictable regioselectivity in iterative synthesis workflows.

General Information

CAS No. 450412-28-9
Cat. No. CS-0097777
Purity ≥96%
MDL No. MFCD09907935
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃BrClI
Molecular Weight 317.35
Synonym(s) 1-Bromo-3-chloro-2-Iodobenzenne
SMILES IC1=C(Cl)C=CC=C1Br

Computational Chemistry Data

TPSA 0
LogP 3.7071
H_Acceptors 0
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-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 Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-3-chloro-2-iodobenzene

CAS No. 450412-28-9

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