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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)phenylacetonitrile

  • CAS No. 2338-76-3

  • Cat. No. CS-W016956
  • Purity≥97%
  • MDL No.MFCD00001913

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

3-(Trifluoromethyl)phenylacetonitrile|CS-W016956

Structure of 2338-76-3

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General Information

  • CAS No. 2338-76-3
  • Cat. No. CS-W016956
  • Purity ≥97%
  • MDL No. MFCD00001913
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃N
  • Molecular Weight 185.15
  • Synonym(s) 3-Trifluoromethylphenylacetonitrile
  • SMILES N#CCC1=CC=CC(C(F)(F)F)=C1

Application

3-(Trifluoromethyl)phenylacetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant scaffolds. Its trifluoromethyl group enhances metabolic stability and membrane permeability, while the nitrile functionality facilitates downstream transformations such as amidation, hydrolysis, and cyclization. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, making it well-suited for modular synthesis workflows in API development.

Synthesis

  • Route1
    • null|null
      151-50-8
    • null|null
      402-23-3
    • ~99%
    • In-stock
      3-(Trifluoromethyl)phenylacetonitrile|CS-W016956
      2338-76-3

    References

    • Kalypsys, Inc. Patent: US2005/234046 A1, 2005 ; Location in patent: Page/Page column 97 ; US 20050234046 A1
  • Route2
    • null|null
      705-29-3
    • ~%
    • In-stock
      3-(Trifluoromethyl)phenylacetonitrile|CS-W016956
      2338-76-3

    References

    • US5026715 A1, ;
  • Route3
    • 2-[3-(trifluoromethyl)phenyl]acetamide|CS-0258037
      22902-93-8
    • ~%
    • In-stock
      3-(Trifluoromethyl)phenylacetonitrile|CS-W016956
      2338-76-3

    References

    • US4436669 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
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

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.77148
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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