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CS-W001157 4
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4-Fluoro-2-iodobenzonitrile

  • CAS No. 1031929-20-0

  • Cat. No. CS-0041475
  • Purity≥98%
  • MDL No.None

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

4-Fluoro-2-iodobenzonitrile|CS-0041475

Structure of 1031929-20-0

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General Information

  • CAS No. 1031929-20-0
  • Cat. No. CS-0041475
  • 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-Iodo-4-fluorobenzonitrile
  • SMILES N#CC1=CC=C(F)C=C1I

Description

4-Fluoro-2-iodobenzonitrile features a strategically positioned nitrile group and iodine atom on a fluorinated benzene ring, enabling direct incorporation into cross-coupling reactions. The electron-withdrawing fluoro and iodo substituents enhance reactivity while maintaining stability under standard conditions.

Application

4-Fluoro-2-iodobenzonitrile serves as a versatile building block in cross-coupling chemistry, enabling efficient access to substituted biaryls and heterocycles. The ortho-iodo group facilitates palladium-catalyzed coupling reactions with high regioselectivity, while the nitrile and fluorine functionalities provide excellent functional group tolerance and opportunities for downstream transformations. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for medicinal chemistry and process development 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 : 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   23.79
  • LogP   2.30198
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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