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CS-W001157 4
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4-Fluoro-1-iodo-2-methylbenzene

  • CAS No. 66256-28-8

  • Cat. No. CS-W019520
  • Purity≥98%
  • MDL No.MFCD00039397

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

4-Fluoro-1-iodo-2-methylbenzene|CS-W019520

Structure of 66256-28-8

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General Information

  • CAS No. 66256-28-8
  • Cat. No. CS-W019520
  • Purity ≥98%
  • MDL No. MFCD00039397
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FI
  • Molecular Weight 236.03
  • Synonym(s) 5-Fluoro-2-iodotoluene
  • SMILES CC1=CC(F)=CC=C1I

Description

4-Fluoro-1-iodo-2-methylbenzene features a strategically positioned fluorine atom and iodine substituent on a methylated benzene ring, enabling efficient cross-coupling transformations. The electron-withdrawing fluorine enhances reactivity in palladium-catalyzed processes, while the ortho-methyl group provides steric guidance and stability. This combination supports precise functionalization in complex molecule synthesis.

Application

4-Fluoro-1-iodo-2-methylbenzene serves as a versatile building block in cross-coupling chemistry, enabling palladium-catalyzed reactions such as Suzuki-Miyaura and Stille couplings. The ortho-fluoro and iodo substituents provide orthogonal reactivity, facilitating sequential functionalization. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for the synthesis of complex aryl scaffolds in medicinal chemistry and materials science applications.

Synthesis

  • Route1
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      352-70-5
    • ~%
    • In-stock
      2-Fluoro-1-iodo-4-methylbenzene|CS-W010323
      452-79-9
    • In-stock
      4-Fluoro-1-iodo-2-methylbenzene|CS-W019520
      66256-28-8

    References

    • Journal of the Indian Chemical Society, , vol. 21, p. 112,114

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

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.73872
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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