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CS-W001157 4
Total: USD 88.00

2-(2,6-Difluorophenyl)acetonitrile

  • CAS No. 654-01-3

  • Cat. No. CS-W008404
  • Purity≥98%
  • MDL No.MFCD00009973

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

2-(2,6-Difluorophenyl)acetonitrile|CS-W008404

Structure of 654-01-3

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General Information

  • CAS No. 654-01-3
  • Cat. No. CS-W008404
  • Purity ≥98%
  • MDL No. MFCD00009973
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₂N
  • Molecular Weight 153.13
  • Synonym(s) 2,6-Difluorophenylacetonitrile
  • SMILES N#CCC1=C(F)C=CC=C1F

Description

2-(2,6-Difluorophenyl)acetonitrile features a fluorinated aromatic ring paired with a nitrile-bearing side chain, delivering enhanced metabolic stability and improved lipophilicity. This combination enables efficient integration into bioactive scaffolds for medicinal chemistry campaigns.

Application

2-(2,6-Difluorophenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aryl acetonitriles via standard coupling and functionalization reactions. Its bench-stable nature, combined with excellent functional group tolerance, facilitates efficient incorporation into complex scaffolds. The molecule functions as a key intermediate for constructing bioactive heterocycles and pharmaceutical candidates requiring electron-withdrawing nitrile and ortho-fluorine substituents.

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 4 p. 1110 - 1113
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 4 p. 1110 - 1113
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 4 p. 1110 - 1113

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302+H312+H332-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.03088
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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