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CS-W001157 4
Total: USD 88.00

4-Bromo-1-fluoro-2-iodobenzene

  • CAS No. 116272-41-4

  • Cat. No. CS-0030548
  • Purity≥98%
  • MDL No.MFCD07368751

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

4-Bromo-1-fluoro-2-iodobenzene|CS-0030548

Structure of 116272-41-4

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General Information

  • CAS No. 116272-41-4
  • Cat. No. CS-0030548
  • Purity ≥98%
  • MDL No. MFCD07368751
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrFI
  • Molecular Weight 300.90
  • Synonym(s) 1-Bromo-4-fluoro-3-iodobenzene
  • SMILES IC1=CC(Br)=CC=C1F

Description

4-Bromo-1-fluoro-2-iodobenzene features a trihalogenated aromatic core with distinct electronic and steric profiles. This ortho-iodo-substituted benzene integrates readily into cross-coupling reactions, where the fluorine acts as a traceless directing group. The molecule exhibits enhanced reactivity in palladium-catalyzed transformations due to the synergistic influence of bromine and iodine leaving groups.

Application

4-Bromo-1-fluoro-2-iodobenzene serves as a versatile trihalogenated benzene building block for palladium-catalyzed cross-coupling reactions. Its orthogonal halogen reactivity enables sequential functionalization, with the iodine group typically undergoing rapid coupling followed by bromine or fluoride substitution. The molecule exhibits good bench stability and facilitates efficient access to complex substituted arenes, making it valuable in medicinal chemistry and materials synthesis workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.1928
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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