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CS-W001157 4
Total: USD 88.00

5-Ethynylnicotinonitrile

  • CAS No. 152803-05-9

  • Cat. No. CS-0447306
  • Purity≥98%
  • MDL No.None

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

5-Ethynylnicotinonitrile|CS-0447306

Structure of 152803-05-9

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General Information

  • CAS No. 152803-05-9
  • Cat. No. CS-0447306
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄N₂
  • Molecular Weight 128.13
  • Synonym(s) 5-ethynylpyridine-3-carbonitrile
  • SMILES C#CC1=CC(=CN=C1)C#N

Synthesis

  • Route1
    • 5-((Trimethylsilyl)ethynyl)nicotinonitrile|CS-0972347
      866683-29-6
    • ~76%
    • In-stock
      5-Ethynylnicotinonitrile|CS-0447306
      152803-05-9

    References

    • ELI LILLY AND COMPANY Patent: WO2005/94822 A1, 2005 ; Location in patent: Page/Page column 26-27 ; WO 2005/094822 A1
  • Route2
    • null|null
      1531598-56-7
    • ~62%
    • In-stock
      5-Ethynylnicotinonitrile|CS-0447306
      152803-05-9

    References

    • Patrick, Donald A.; Bakunov, Stanislav A.; Bakunova, Svetlana M.; Wenzler, Tanja; Brun, Reto; Tidwell, Richard R. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 1 p. 559 - 576

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

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   0.93458
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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