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CS-W001157 4
Total: USD 88.00

4-Amino-3,5-difluorobenzonitrile

  • CAS No. 110301-23-0

  • Cat. No. CS-W018653
  • Purity≥97%
  • MDL No.MFCD03407467

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

4-Amino-3,5-difluorobenzonitrile|CS-W018653

Structure of 110301-23-0

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General Information

  • CAS No. 110301-23-0
  • Cat. No. CS-W018653
  • Purity ≥97%
  • MDL No. MFCD03407467
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₂N₂
  • Molecular Weight 154.12
  • Synonym(s) 4-Cyano-2,6-difluoroaniline
  • SMILES NC1=C(C=C(C#N)C=C1F)F

Description

4-Amino-3,5-difluorobenzonitrile delivers a uniquely electron-deficient aromatic scaffold bearing strategically positioned fluorine atoms and a pendant nitrile group. This combination enables direct incorporation into pharmaceutical intermediates and functional materials via cross-coupling or nucleophilic substitution reactions under standard conditions.

Application

4-Amino-3,5-difluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated aromatic scaffolds. The ortho-fluoro substituents facilitate subsequent palladium-catalyzed cross-coupling reactions, while the nitrile group offers compatibility with nucleophilic additions and cyclizations. Bench-stable and amenable to purification via recrystallization, it functions effectively in the synthesis of bioactive heterocycles and API intermediates.

Synthesis

  • Route1
    • In-stock
      2,6-Difluoro-4-iodoaniline|CS-0063173
      141743-49-9
    • null|null
      544-92-3
    • ~65%
    • In-stock
      4-Amino-3,5-difluorobenzonitrile|CS-W018653
      110301-23-0

    References

    • AMOREPACIFIC CORPORATION Patent: WO2006/98554 A1, 2006 ; Location in patent: Page/Page column 78 ; WO 2006/098554 A1
  • Route2

    References

    • US5354502 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
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   49.81
  • LogP   1.41868
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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