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CS-W001157 4
Total: USD 88.00

3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propanenitrile

  • CAS No. 89128-08-5

  • Cat. No. CS-0316972
  • Molecule weight180.16
  • Purity95+%
  • MDL No.None

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

3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propanenitrile|CS-0316972

Structure of 89128-08-5

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General Information

  • CAS No. 89128-08-5
  • Cat. No. CS-0316972
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₄O₂
  • Molecular Weight 180.16
  • Synonym(s) 3-(2-Methyl-4-Nitro-1H-Imidazol-1-yl)Propionitrile
  • SMILES CC1=NC(=CN1CCC#N)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      107-13-1
    • 2-Methyl-5-nitroimidazole Tinidazole Impurity|CS-0229738
      696-23-1
    • ~88%
    • 3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propanenitrile|CS-0316972
      89128-08-5

    References

    • Rao, A. K. S. Bhujanga; Rao, C. Gundu; Singh, B. B. Journal of Organic Chemistry, 1990 , vol. 55, # 11 p. 3702 - 3704
  • Route2
    • null|null
      143-33-9
    • Isometronidazole|CS-0317294
      705-19-1
    • ~89%
    • 3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propanenitrile|CS-0316972
      89128-08-5

    References

    • Soltani Rad, Mohammad Navid; Khalafi-Nezhad, Ali; Behrouz, Somayeh; Faghihi, Mohammad Ali Tetrahedron Letters, 2007 , vol. 48, # 38 p. 6779 - 6784

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   84.75
  • LogP   1.0134
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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