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CS-W001157 4
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1-(2,2,2-Trichloroethoxycarbonyl)-1H-imidazole

  • CAS No. 70737-50-7

  • Cat. No. CS-0212516
  • Purity≥98%
  • MDL No.MFCD18783167

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

1-(2,2,2-Trichloroethoxycarbonyl)-1H-imidazole|CS-0212516

Structure of 70737-50-7

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General Information

  • CAS No. 70737-50-7
  • Cat. No. CS-0212516
  • Purity ≥98%
  • MDL No. MFCD18783167
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅Cl₃N₂O₂
  • Molecular Weight 243.48
  • Synonym(s) 2,2,2-Trichloroethyl 1H-imidazole-1-carboxylate
  • SMILES C1=CN(C=N1)C(=O)OCC(Cl)(Cl)Cl

Synthesis

  • Route1
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • null|null
      17341-93-4
    • ~97%
    • 1-(2,2,2-Trichloroethoxycarbonyl)-1H-imidazole|CS-0212516
      70737-50-7

    References

    • Boxler, Dena L.; Brambilla, Raymond; Davies, D. Huw; Mallams, Alan K.; McCombie, Stuart W.; at al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 2168 - 2185
  • Route2

    References

    • Tsunokawa, Youko; Iwasaki, Shigeo; Okuda, Shigenobu Tetrahedron Letters, 1982 , vol. 23, # 20 p. 2113 - 2116

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   2.238
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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