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CS-W001157 4
Total: USD 88.00

3-(2-Oxocyclohexyl)propanenitrile

  • CAS No. 4594-78-9

  • Cat. No. CS-0102369
  • Purity≥97%
  • MDL No.MFCD00013797

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

3-(2-Oxocyclohexyl)propanenitrile|CS-0102369

Structure of 4594-78-9

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General Information

  • CAS No. 4594-78-9
  • Cat. No. CS-0102369
  • Purity ≥97%
  • MDL No. MFCD00013797
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO
  • Molecular Weight 151.21
  • Synonym(s) 2-OXOCYCLOHEXANEPROPIONITRILE
  • SMILES N#CCCC1C(CCCC1)=O

Synthesis

  • Route1
    • null|null
      122888-05-5
    • ~90%
    • In-stock
      3-(2-Oxocyclohexyl)propanenitrile|CS-0102369
      4594-78-9

    References

    • Stork, Gilbert; Zhao, Kang Tetrahedron Letters, 1989 , vol. 30, # 3 p. 287 - 290
  • Route2
    • null|null
      108-94-1
    • null|null
      107-13-1
    • ~96%
    • In-stock
      3-(2-Oxocyclohexyl)propanenitrile|CS-0102369
      4594-78-9

    References

    • Cotarca, Livius; Delogu, Pietro; Nardelli, Alfonso; Maggioni, Paolo; Bianchini, Roberto; Sguassero, Stefano; Alini, Stefano; Dario, Roberto; Clauti, Giuliano; Pitta, Giorgio; Duse, Gianpaolo; Goffredi, Fabrizio Organic Process Research and Development, 2001 , vol. 5, # 1 p. 69 - 76
  • Route3
    • null|null
      4697-90-9
    • ~85%
    • In-stock
      3-(2-Oxocyclohexyl)propanenitrile|CS-0102369
      4594-78-9

    References

    • Cren, Sylvaine; Schar, Pascal; Renaud, Philippe; Schenk, Kurt Journal of Organic Chemistry, 2009 , vol. 74, # 8 p. 2942 - 2946

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.04948
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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