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CS-W001157 4
Total: USD 88.00

4-Ethynyl-3-methoxybenzonitrile

  • CAS No. 914105-99-0

  • Cat. No. CS-0170796
  • Purity≥98%
  • MDL No.None

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

4-Ethynyl-3-methoxybenzonitrile|CS-0170796

Structure of 914105-99-0

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General Information

  • CAS No. 914105-99-0
  • Cat. No. CS-0170796
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO
  • Molecular Weight 157.17
  • Synonym(s) None
  • SMILES C#CC1=C(C=C(C=C1)C#N)OC

Synthesis

  • Route1
    • null|null
      914106-32-4
    • ~66%
    • 4-Ethynyl-3-methoxybenzonitrile|CS-0170796
      914105-99-0

    References

    • Patrick, Donald A.; Bakunov, Stanislav A.; Bakunova, Svetlana M.; Kumar, E.V.K. Suresh; Lombardy, Richard J.; Jones, Susan Kilgore; Bridges, Arlene S.; Zhirnov, Oksana; Hall, James Edwin; Wenzler, Tanja; Brun, Reto; Tidwell, Richard R. Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2468 - 2485
  • Route2
    • null|null
      652997-57-4
    • ~%
    • 4-Ethynyl-3-methoxybenzonitrile|CS-0170796
      914105-99-0

    References

    • Patrick, Donald A.; Bakunov, Stanislav A.; Bakunova, Svetlana M.; Kumar, E.V.K. Suresh; Lombardy, Richard J.; Jones, Susan Kilgore; Bridges, Arlene S.; Zhirnov, Oksana; Hall, James Edwin; Wenzler, Tanja; Brun, Reto; Tidwell, Richard R. Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2468 - 2485
  • Route3

    References

    • Patrick, Donald A.; Bakunov, Stanislav A.; Bakunova, Svetlana M.; Kumar, E.V.K. Suresh; Lombardy, Richard J.; Jones, Susan Kilgore; Bridges, Arlene S.; Zhirnov, Oksana; Hall, James Edwin; Wenzler, Tanja; Brun, Reto; Tidwell, Richard R. Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2468 - 2485

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   1.54818
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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