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CS-W001157 4
Total: USD 88.00

Ethyl 2-cyanopentanoate

  • CAS No. 6967-47-1

  • Cat. No. CS-0106460
  • Molecule weight155.19
  • Purity≥95%
  • MDL No.MFCD02258621

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

Ethyl 2-cyanopentanoate|CS-0106460

Structure of 6967-47-1

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General Information

  • CAS No. 6967-47-1
  • Cat. No. CS-0106460
  • Purity ≥95%
  • MDL No. MFCD02258621
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃NO₂
  • Molecular Weight 155.19
  • Synonym(s) Ethyl 2-cyanovalerate
  • SMILES CCCC(C#N)C(OCC)=O

Synthesis

  • Route1
    • null|null
      110-89-4
    • null|null
      123-38-6
    • null|null
      105-56-6
    • ~88%
    • Ethyl 2-cyanopentanoate|CS-0106460
      6967-47-1

    References

    • Canon Kabushiki Kaisha; Yamakawa Chemical Industry Co., Ltd. Patent: US4999130 A1, 1991 ;
  • Route2
    • null|null
      71-23-8
    • null|null
      105-56-6
    • ~40%
    • Ethyl 2-cyanopentanoate|CS-0106460
      6967-47-1

    References

    • Arnold, Lee D.; Assil, Hanaa I.; Vederas, John C. Journal of the American Chemical Society, 1989 , vol. 111, # 11 p. 3973 - 3976
  • Route3
    • null|null
      144918-37-6
    • ~72%
    • Ethyl 2-cyanopentanoate|CS-0106460
      6967-47-1

    References

    • He, Qi; Xu, Zhihong; Jiang, Dehong; Ai, Wensi; Shi, Ronghua; Qian, Shan; Wang, Zhouyu RSC Advances, 2014 , vol. 4, # 17 p. 8671 - 8674

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   50.09
  • LogP   1.48938
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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