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CS-W001157 4
Total: USD 88.00

2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one

  • CAS No. 120095-64-9

  • Cat. No. CS-0108342
  • Purity≥95%
  • MDL No.None

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

2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one|CS-0108342

Structure of 120095-64-9

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General Information

  • CAS No. 120095-64-9
  • Cat. No. CS-0108342
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄Cl₃N₃O₃
  • Molecular Weight 272.47
  • Synonym(s) 1-Methyl-4-nitro-2-(trichloroacetyl)-1H-imidazole
  • SMILES O=C(C1=NC([N+]([O-])=O)=CN1C)C(Cl)(Cl)Cl

Synthesis

  • Route1

    References

    • Jaramillo, David; Liu, Qi; Aldrich-Wright, Janice; Tor, Yitzhak Journal of Organic Chemistry, 2004 , vol. 69, # 23 p. 8151 - 8153
  • Route2
    • In-stock
      1-Methyl-2-(trichloroacetyl)imidazole|CS-0197128
      30148-23-3
    • ~68%
    • In-stock
      2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-imidazol-2-yl)ethan-1-one|CS-0108342
      120095-64-9
    • null|null
      120095-65-0

    References

    • Nishiwaki, Eiji; Tanaka, Shigeaki; Lee, Hideaki; Shibuya, Masayuki Heterocycles, 1988 , vol. 27, # 8 p. 1945 - 1952

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   78.03
  • LogP   1.8812
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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