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CS-W001157 4
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2-Fluoro-3-iodobenzonitrile

  • CAS No. 211943-27-0

  • Cat. No. CS-0199508
  • Purity≥98%
  • MDL No.None

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

2-Fluoro-3-iodobenzonitrile|CS-0199508

Structure of 211943-27-0

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General Information

  • CAS No. 211943-27-0
  • Cat. No. CS-0199508
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃FIN
  • Molecular Weight 247.01
  • Synonym(s) 2-Fluoro-3-iodo-benzonitrile
  • SMILES C1=CC(=C(C(=C1)I)F)C#N

Description

2-Fluoro-3-iodobenzonitrile features a strategically positioned fluorine and iodine substituent on a benzonitrile scaffold, enabling seamless integration into cross-coupling reactions. The electron-withdrawing nitrile group enhances reactivity, while the ortho-fluoro substitution stabilizes the aryl halide for palladium-catalyzed transformations. This compound serves as a key intermediate in the synthesis of functionalized pharmaceuticals and agrochemicals.

Application

2-Fluoro-3-iodobenzonitrile serves as a versatile building block in cross-coupling chemistry, enabling efficient access to substituted biaryls and heterocycles. The ortho-fluoro and iodo groups offer complementary reactivity for sequential functionalization, while the nitrile moiety provides a handle for downstream transformations. Bench-stable and compatible with palladium-catalyzed reactions, it facilitates rapid diversification in medicinal chemistry and materials synthesis workflows.

Synthesis

  • Route1
    • null|null
      394-47-8
    • ~87%
    • In-stock
      2-Fluoro-3-iodobenzonitrile|CS-0199508
      211943-27-0

    References

    • Laboratorios Almirall, S.A. Patent: EP2113503 A1, 2009 ; Location in patent: Page/Page column 32 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.30198
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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