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CS-W001157 4
Total: USD 88.00

2-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazole

  • CAS No. 477886-85-4

  • Cat. No. CS-0191912
  • Purity≥98%
  • MDL No.None

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

2-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazole|CS-0191912

Structure of 477886-85-4

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General Information

  • CAS No. 477886-85-4
  • Cat. No. CS-0191912
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃N₂O
  • Molecular Weight 214.14
  • Synonym(s) 2-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazole
  • SMILES FC(C1=CC=C(C2=NN=CO2)C=C1)(F)F

Synthesis

  • Route1

    References

    • Wertz, Sebastian; Kodama, Shintaro; Studer, Armido Angewandte Chemie - International Edition, 2011 , vol. 50, # 48 p. 11511 - 11515
  • Route2

    References

    • ELI LILLY AND COMPANY Patent: WO2005/65683 A1, 2005 ; Location in patent: Page/Page column 84-85; 101; 111 ; WO 2005/065683 A1
  • Route3

    References

    • Gierczyk, Blazej; Zalas, MacIej; Kazmierczak, Marcin; Grajewski, Jakub; Pankiewicz, Radoslaw; Wyrzykiewicz, Bozena Magnetic Resonance in Chemistry, 2011 , vol. 49, # 10 p. 648 - 654

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   38.92
  • LogP   2.7554
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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