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CS-W001157 4
Total: USD 88.00

2-(2,4,6-trifluorophenyl)acetonitrile

  • CAS No. 220227-80-5

  • Cat. No. CS-0199371
  • Purity≥96%
  • MDL No.None

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

2-(2,4,6-trifluorophenyl)acetonitrile|CS-0199371

Structure of 220227-80-5

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General Information

  • CAS No. 220227-80-5
  • Cat. No. CS-0199371
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃N
  • Molecular Weight 171.12
  • Synonym(s) Benzeneacetonitrile, 2,4,6-trifluoro-
  • SMILES C(C#N)C1=C(C=C(C=C1F)F)F

Description

2-(2,4,6-Trifluorophenyl)acetonitrile features a trifluorophenyl group that imparts enhanced electron-withdrawal and metabolic stability. This aryl nitrile integrates readily into synthetic sequences requiring a robust, polarizable handle. The molecule exhibits excellent bench stability and solubility in common organic solvents, enabling seamless incorporation into pharmaceutical intermediates and functional materials.

Application

2-(2,4,6-Trifluorophenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated arylalkyl scaffolds via standard coupling and functionalization reactions. Its trifluorophenyl moiety enhances metabolic stability and lipophilicity, while the nitrile group provides a handle for nucleophilic transformations and amide formation. The compound exhibits good bench stability and is compatible with common reaction conditions, facilitating efficient purification and integration into multi-step syntheses.

Synthesis

  • Route1

    References

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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.16998
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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