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CS-W001157 4
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2-Oxo-cycloheptanecarbonitrile

  • CAS No. 7391-45-9

  • Cat. No. CS-0341503
  • Molecule weight137.18
  • Purity≥97%
  • MDL No.None

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

2-Oxo-cycloheptanecarbonitrile|CS-0341503

Structure of 7391-45-9

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General Information

  • CAS No. 7391-45-9
  • Cat. No. CS-0341503
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO
  • Molecular Weight 137.18
  • Synonym(s) 2-Oxocycloheptanecarbonitrile
  • SMILES C1CCC(C#N)C(=O)CC1

Synthesis

  • Route1
    • null|null
      629-40-3
    • ~23%
    • 2-Oxo-cycloheptanecarbonitrile|CS-0341503
      7391-45-9

    References

    • PALAU PHARMA, S. A. Patent: WO2009/56551 A1, 2009 ; Location in patent: Page/Page column 58-59 ; WO 2009/056551 A1
  • Route2
    • null|null
      90196-80-8
    • ~%
    • 2-Oxo-cycloheptanecarbonitrile|CS-0341503
      7391-45-9

    References

    • Liu, Hsing-Jang; Ly, Tai Wei; Tai, Chia-Liang; Wu, Jen-Dar; Liang, Jinn-Kwei; Guo, Jiunn-Cheh; Tseng, Nai-Wen; Shia, Kak-Shan Tetrahedron, 2003 , vol. 59, # 8 p. 1209 - 1226
  • Route3
    • null|null
      502-42-1
    • ~%
    • 2-Oxo-cycloheptanecarbonitrile|CS-0341503
      7391-45-9

    References

    • Kuehne Journal of the American Chemical Society, 1959 , vol. 81, p. 5400,5403

Safety Information

Download SDS
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   40.86
  • LogP   1.65938
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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