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CS-W001157 4
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1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one

  • CAS No. 111468-90-7

  • Cat. No. CS-M2116
  • Molecule weight268.52
  • Purity≥98%
  • MDL No.MFCD00141837

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

1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one|CS-M2116

Structure of 111468-90-7

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General Information

  • CAS No. 111468-90-7
  • Cat. No. CS-M2116
  • Purity ≥98%
  • MDL No. MFCD00141837
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈Cl₃NO₂
  • Molecular Weight 268.52
  • Synonym(s) 1-[5-(2,2,2-TRICHLOROACETYL)-1H-PYRROL-3-YL]-1-PROPANONE
  • SMILES O=C(C(Cl)(Cl)Cl)C1=CC(C(CC)=O)=CN1

Synthesis

  • Route1
    • In-stock
      2-(Trichloroacetyl)-1H-pyrrole|CS-W008918
      35302-72-8
    • null|null
      79-03-8
    • ~79%
    • In-stock
      1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one|CS-M2116
      111468-90-7

    References

    • Garrido, Daniel O. A.; Buldain, Graciela; Ojea, Maria I.; Frydman, Benjamin Journal of Organic Chemistry, 1988 , vol. 53, # 2 p. 403 - 407
  • Route2
    • In-stock
      2-(Trichloroacetyl)-1H-pyrrole|CS-W008918
      35302-72-8
    • null|null
      19434-65-2
    • ~%
    • In-stock
      1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)propan-1-one|CS-M2116
      111468-90-7

    References

    • US2003/92714 A1, ; US 20030092714 A1

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   49.93
  • LogP   3.1603
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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