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CS-W001157 4
Total: USD 88.00

3-(2,6-Dichlorophenyl)-3-oxopropanenitrile

  • CAS No. 71463-50-8

  • Cat. No. CS-0249057
  • Purity95+%
  • MDL No.None

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

3-(2,6-Dichlorophenyl)-3-oxopropanenitrile|CS-0249057

Structure of 71463-50-8

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General Information

  • CAS No. 71463-50-8
  • Cat. No. CS-0249057
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅Cl₂NO
  • Molecular Weight 214.05
  • Synonym(s) 3-(2,6-dichlorophenyl)-3-oxopropiononitrile
  • SMILES C1=CC(=C(C(=C1)Cl)C(=O)CC#N)Cl

Synthesis

  • Route1

    References

    • Vogl, Michael; Brecker, Lothar; Kratzer, Regina; Nidetzky, Bernd Chirality, 2012 , vol. 24, # 10 p. 847 - 853,7
  • Route2

    References

    • NOVARTIS AG Patent: WO2008/62026 A1, 2008 ; Location in patent: Page/Page column 29 - 30 ; WO 2008/062026 A1
  • Route3

    References

    • Binder, Dieter; Stanetty, Peter Journal of Chemical Research, Miniprint, 1981 , # 4 p. 1073 - 1086

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   3.08978
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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