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CS-W001157 4
Total: USD 88.00

1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole

  • CAS No. 16156-90-4

  • Cat. No. CS-0336968
  • Purity95+%
  • MDL No.None

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

1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole|CS-0336968

Structure of 16156-90-4

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General Information

  • CAS No. 16156-90-4
  • Cat. No. CS-0336968
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈IN₃O₂
  • Molecular Weight 281.05
  • Synonym(s) 1-(2-iodoethyl)-2-methyl-5-nitro-imidazole
  • SMILES CC1=NC=C(N1CCI)[N+](=O)[O-]

Synthesis

  • Route1
    • 1-(2-Chloroethyl)-2-methyl-5-nitro-1h-imidazole|CS-0282356
      13182-81-5
    • ~82%
    • 1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole|CS-0336968
      16156-90-4

    References

    • Li, Huan-Qiu; Xiao, Zhu-Ping; Fang, Rui-Qin; Zhu, Hai-Liang Journal of Chemical Crystallography, 2008 , vol. 38, # 6 p. 461 - 466
  • Route2
    • null|null
      6058-57-7
    • ~45%
    • 1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole|CS-0336968
      16156-90-4

    References

    • Hay, Michael P.; Lee, Ho H.; Wilson, William R.; Roberts, Peter B.; Denny, William A. Journal of Medicinal Chemistry, 1995 , vol. 38, # 11 p. 1928 - 1941
  • Route3
    • Metronidazole solution|CS-1692844
      443-48-1
    • ~%
    • 1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole|CS-0336968
      16156-90-4

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 1 p. 394 - 397

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   1.53472
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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