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CS-W001157 4
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1-Bromo-3-chloro-2-iodobenzene

  • CAS No. 450412-28-9

  • Cat. No. CS-0097777
  • Purity≥96%
  • MDL No.MFCD09907935

*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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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

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.

Synthesis

  • Route1

    References

    • SMITHKLINE BEECHAM CORPORATION; VITAE PHARMACEUTICALS, INC. Patent: WO2008/124575 A1, 2008 ; Location in patent: Page/Page column 103 ; WO 2008/124575 A1

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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Computational Chemistry Data

  • TPSA   0
  • LogP   3.7071
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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