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CS-W001157 4
Total: USD 88.00

1-Methyl-4-nitroimidazole Metronidazole Impurity

  • CAS No. 3034-41-1

  • Cat. No. CS-0229039
  • Purity≥98%
  • MDL No.MFCD00159683

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

1-Methyl-4-nitroimidazole Metronidazole  Impurity|CS-0229039

Structure of 3034-41-1

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General Information

  • CAS No. 3034-41-1
  • Cat. No. CS-0229039
  • Purity ≥98%
  • MDL No. MFCD00159683
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃O₂
  • Molecular Weight 127.10
  • Synonym(s) Imidazole, 1-methyl-4-nitro-
  • SMILES O=N(=O)C=1N=CN(C1)C

Synthesis

  • Route1
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6
    • null|null
      74-88-4
    • ~76%
    • 1-Methyl-4-nitroimidazole Metronidazole  Impurity|CS-0229039
      3034-41-1

    References

    • Su, Qibin; Ioannidis, Stephanos; Chuaqui, Claudio; Almeida, Lynsie; Alimzhanov, Marat; Bebernitz, Geraldine; Bell, Kirsten; Block, Michael; Howard, Tina; Huang, Shan; Huszar, Dennis; Read, Jon A.; Rivard Costa, Caroline; Shi, Jie; Su, Mei; Ye, Minwei; Zinda, Michael Journal of Medicinal Chemistry, 2014 , vol. 57, # 1 p. 144 - 158
  • Route2
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6
    • null|null
      616-38-6
    • ~55%
    • 1-Methyl-4-nitroimidazole Metronidazole  Impurity|CS-0229039
      3034-41-1

    References

    • Lissel, Manfred Liebigs Annalen der Chemie, 1987 , p. 77 - 80
  • Route3

    References

    • Bergman, Jan; Sand, Peter Tetrahedron Letters, 1984 , vol. 25, # 18 p. 1957 - 1960

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   0.3283
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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