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CS-W001157 4
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5-(Trichloroacetyl)-1h-pyrrole-3-carbonitrile

  • CAS No. 80242-23-5

  • Cat. No. CS-0264640
  • Purity≥95%
  • MDL No.None

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

5-(Trichloroacetyl)-1h-pyrrole-3-carbonitrile|CS-0264640

Structure of 80242-23-5

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General Information

  • CAS No. 80242-23-5
  • Cat. No. CS-0264640
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Cl₃N₂O
  • Molecular Weight 237.47
  • Synonym(s) 5-(2,2,2-trichloro-acetyl)-1H-pyrrole-3-carbonitrile
  • SMILES N#CC1=CNC(C(C(Cl)(Cl)Cl)=O)=C1

Synthesis

  • Route1

    References

    • ADDEX PHARMACEUTICALS SA Patent: WO2006/123257 A2, 2006 ; Location in patent: Page/Page column 87 ; WO 2006/123257 A2
  • Route2
    • null|null
      1189-71-5
    • In-stock
      2-(Trichloroacetyl)-1H-pyrrole|CS-W008918
      35302-72-8
    • ~%
    • 5-Acetyl-1H-pyrrole-3-carbonitrile|CS-0469886
      80242-22-4
    • 5-(Trichloroacetyl)-1h-pyrrole-3-carbonitrile|CS-0264640
      80242-23-5

    References

    • Loader, Charles E.; Anderson, Hugh J. Canadian Journal of Chemistry, 1981 , vol. 59, p. 2673 - 2676

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   56.65
  • LogP   2.43928
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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