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3,5-Bis(trifluoromethyl)benzonitrile

  • CAS No. 27126-93-8

  • Cat. No. CS-0020535
  • Purity≥98%
  • MDL No.MFCD00000379

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

3,5-Bis(trifluoromethyl)benzonitrile|CS-0020535

Structure of 27126-93-8

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General Information

  • CAS No. 27126-93-8
  • Cat. No. CS-0020535
  • Purity ≥98%
  • MDL No. MFCD00000379
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₃F₆N
  • Molecular Weight None
  • Synonym(s) 2-Cyano-3,5-bis(trifluoromethyl)benzene; 3,5-Bis(trifluoromethyl)-1-cyanobenzene; NSC 88316; phenyl{bis[(trifluoroacetyl)oxy]}-lambda~3~-iodane
  • SMILES N#CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

Synthesis

  • Route1

    References

    • MITSUBISHI GAS CHEMICAL COMPANY, INC. Patent: EP1500641 A1, 2005 ; Location in patent: Page 11 ;
  • Route2

    References

    • Eckert, Markus Patent: US2003/18209 A1, 2003 ;
  • Route3
    • In-stock
      1-Bromo-3,5-bis(trifluoromethyl)benzene|CS-D0806
      328-70-1
    • null|null
      75-86-5
    • ~86%
    • In-stock
      3,5-Bis(trifluoromethyl)benzonitrile|CS-0020535
      27126-93-8

    References

    • Schareina, Thomas; Zapf, Alexander; Cotte, Alain; Gotta, Matthias; Beller, Matthias Advanced Synthesis and Catalysis, 2011 , vol. 353, # 5 p. 777 - 780

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   3.59588
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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