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CS-W001157 4
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4-Amino-2,3-difluorobenzonitrile

  • CAS No. 112279-71-7

  • Cat. No. CS-0134998
  • Purity≥98%
  • MDL No.MFCD09030642

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

4-Amino-2,3-difluorobenzonitrile|CS-0134998

Structure of 112279-71-7

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General Information

  • CAS No. 112279-71-7
  • Cat. No. CS-0134998
  • Purity ≥98%
  • MDL No. MFCD09030642
  • 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-Amino-2,3-difluoro-benzonitrile
  • SMILES N#CC1=CC=C(C(F)=C1F)N

Description

4-Amino-2,3-difluorobenzonitrile features a strategically positioned amino group flanked by two fluorine atoms and a nitrile functionality, enabling precise tuning of electronic properties. This combination enhances solubility and stability under standard conditions while facilitating efficient coupling reactions in medicinal chemistry applications.

Application

4-Amino-2,3-difluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct incorporation into diverse heterocyclic scaffolds via standard coupling and cyclization protocols. Its ortho-fluorine substituents facilitate nucleophilic aromatic substitution, while the amino and nitrile groups provide orthogonal reactivity for downstream functionalization. The compound exhibits good bench stability and is amenable to purification by recrystallization or chromatography, making it well-suited for scalable synthesis of kinase inhibitors and other bioactive molecules.

Synthesis

  • Route1
    • N-(2,3-difluorophenyl)acetamide|CS-0606690
      18355-79-8
    • ~%
    • In-stock
      4-Amino-2,3-difluorobenzonitrile|CS-0134998
      112279-71-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 7 p. 1860 - 1864
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 7 p. 1860 - 1864
  • Route3
    • null|null
      112279-73-9
    • ~%
    • In-stock
      4-Amino-2,3-difluorobenzonitrile|CS-0134998
      112279-71-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 7 p. 1860 - 1864

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P264-P270-P330-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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