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CS-W001157 4
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3-Cyclobutyl-3-oxopropanenitrile

  • CAS No. 118431-89-3

  • Cat. No. CS-0045542
  • Molecule weight123.15
  • Purity≥96%
  • MDL No.MFCD07787182

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

3-Cyclobutyl-3-oxopropanenitrile|CS-0045542

Structure of 118431-89-3

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General Information

  • CAS No. 118431-89-3
  • Cat. No. CS-0045542
  • Purity ≥96%
  • MDL No. MFCD07787182
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO
  • Molecular Weight 123.15
  • Synonym(s) Cyclobutanepropanenitrile, b-oxo-
  • SMILES O=C(CC#N)C1CCC1

Synthesis

  • Route1
    • In-stock
      Ethyl cyclobutanecarboxylate|CS-D1706
      14924-53-9
    • null|null
      75-05-8
    • ~97%
    • In-stock
      3-Cyclobutyl-3-oxopropanenitrile|CS-0045542
      118431-89-3

    References

    • PFIZER PRODUCTS INC. Patent: WO2005/303 A1, 2005 ; Location in patent: Page 20 ; WO 2005/000303 A1
  • Route2
    • null|null
      403595-50-6
    • ~%
    • In-stock
      3-Cyclobutyl-3-oxopropanenitrile|CS-0045542
      118431-89-3

    References

    • US2002/103185 A1, ;
  • Route3
    • In-stock
      Methyl cyclobutanecarboxylate|CS-W013640
      765-85-5
    • null|null
      75-05-8
    • ~82%
    • In-stock
      3-Cyclobutyl-3-oxopropanenitrile|CS-0045542
      118431-89-3

    References

    • Johnson, Leland; Powers, James; Ma, Fupeng; Jendza, Keith; Wang, Bing; Meredith, Erik; Mainolfi, Nello Synthesis (Germany), 2013 , vol. 45, # 2 p. 171 - 173

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.26928
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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