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CS-W001157 4
Total: USD 88.00

2-(3,4,5-Trifluorophenyl)acetonitrile

  • CAS No. 220228-03-5

  • Cat. No. CS-W017660
  • Purity≥95%
  • MDL No.MFCD00083531

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

2-(3,4,5-Trifluorophenyl)acetonitrile|CS-W017660

Structure of 220228-03-5

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General Information

  • CAS No. 220228-03-5
  • Cat. No. CS-W017660
  • Purity ≥95%
  • MDL No. MFCD00083531
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃N
  • Molecular Weight None
  • Synonym(s) 3,4,5-Trifluorophenylacetonitrile
  • SMILES N#CCC1=CC(F)=C(F)C(F)=C1

Description

2-(3,4,5-Trifluorophenyl)acetonitrile features a trifluorophenyl group with strong electron-withdrawing character, enhancing reactivity in nucleophilic substitution and coupling reactions. The nitrile moiety provides a polar, rigid handle for further functionalization. This compound exhibits bench-stable behavior and good solubility in common organic solvents, facilitating its use in synthetic intermediates for pharmaceuticals and agrochemicals.

Application

2-(3,4,5-Trifluorophenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of biologically active compounds through established functional group transformations. Its trifluorophenyl moiety enhances metabolic stability and lipophilicity, while the nitrile group offers reliable reactivity in nucleophilic additions and cyclizations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput screening campaigns and process-scale applications.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H332-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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