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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethoxy)phenylacetonitrile

  • CAS No. 49561-96-8

  • Cat. No. CS-0072133
  • Purity≥97%
  • MDL No.MFCD00061240

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

4-(Trifluoromethoxy)phenylacetonitrile|CS-0072133

Structure of 49561-96-8

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General Information

  • CAS No. 49561-96-8
  • Cat. No. CS-0072133
  • Purity ≥97%
  • MDL No. MFCD00061240
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO
  • Molecular Weight 201.15
  • Synonym(s) 4-Trifluoromethoxybenzylcyanide
  • SMILES N#CCC1=CC=C(C=C1)OC(F)(F)F

Synthesis

  • Route1
    • null|null
      773837-37-9
    • In-stock
      1-(Bromomethyl)-4-(trifluoromethoxy)benzene|CS-W004112
      50824-05-0
    • ~94%
    • In-stock
      4-(Trifluoromethoxy)phenylacetonitrile|CS-0072133
      49561-96-8

    References

    • NOVARTIS AG; Bock, Mark Gary; Gaul, Christoph; Gummadi, Venkateshwar Rao; Moebitz, Henrik; Sengupta, Saumitra Patent: US2014/45872 A1, 2014 ; Location in patent: Paragraph 0847 ;
  • Route2

    References

    • Marhold, Albrecht; Muller, Peter Patent: US2002/82454 A1, 2002 ;
  • Route3
    • In-stock
      1-(Bromomethyl)-4-(trifluoromethoxy)benzene|CS-W004112
      50824-05-0
    • null|null
      151-50-8
    • ~62%
    • In-stock
      4-(Trifluoromethoxy)phenylacetonitrile|CS-0072133
      49561-96-8

    References

    • KALYPSYS, INC. Patent: US2007/270434 A1, 2007 ; Location in patent: Page/Page column 17 ; US 20070270434 A1

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.65128
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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