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CS-W001157 4
Total: USD 88.00

3-Fluoro-2-(trifluoromethyl)benzonitrile

  • CAS No. 261951-81-9

  • Cat. No. CS-0097821
  • Purity≥95%
  • MDL No.MFCD01631566

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

3-Fluoro-2-(trifluoromethyl)benzonitrile|CS-0097821

Structure of 261951-81-9

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General Information

  • CAS No. 261951-81-9
  • Cat. No. CS-0097821
  • Purity ≥95%
  • MDL No. MFCD01631566
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃F₄N
  • Molecular Weight None
  • Synonym(s) alpha,alpha,alpha,3-Tetrafluoro-o-Tolunitrile
  • SMILES N#CC1=CC=CC(F)=C1C(F)(F)F

Synthesis

  • Route1
    • 3-Fluoro-2-(trifluoromethyl)benzamide|CS-0150062
      287398-80-5
    • ~56%
    • In-stock
      3-Fluoro-2-(trifluoromethyl)benzonitrile|CS-0097821
      261951-81-9

    References

    • Nelson, Derek W.; Gregg, Robert J.; Kort, Michael E.; Perez-Medrano, Arturo; Voight, Eric A.; Wang, Ying; Grayson, George; Namovic, Marian T.; Donnelly-Roberts, Diana L.; Niforatos, Wende; Honore, Prisca; Jarvis, Michael F.; Faltynek, Connie R.; Carroll, William A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 12 p. 3659 - 3666
  • Route2
    • null|null
      261951-82-0
    • ~%
    • In-stock
      3-Fluoro-2-(trifluoromethyl)benzonitrile|CS-0097821
      261951-81-9

    References

    • Nelson, Derek W.; Gregg, Robert J.; Kort, Michael E.; Perez-Medrano, Arturo; Voight, Eric A.; Wang, Ying; Grayson, George; Namovic, Marian T.; Donnelly-Roberts, Diana L.; Niforatos, Wende; Honore, Prisca; Jarvis, Michael F.; Faltynek, Connie R.; Carroll, William A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 12 p. 3659 - 3666

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.71618
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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