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CS-W001157 4
Total: USD 88.00

2-(2-Methyl-4-nitro-1h-imidazol-1-yl)acetic acid

  • CAS No. 16230-87-8

  • Cat. No. CS-0216684
  • Molecule weight185.14
  • Purity95+%
  • MDL No.MFCD01721818

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

2-(2-Methyl-4-nitro-1h-imidazol-1-yl)acetic acid|CS-0216684

Structure of 16230-87-8

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General Information

  • CAS No. 16230-87-8
  • Cat. No. CS-0216684
  • Purity 95+%
  • MDL No. MFCD01721818
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O₄
  • Molecular Weight 185.14
  • Synonym(s) (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid
  • SMILES CC1=NC(=CN1CC(=O)O)[N+](=O)[O-]

Synthesis

  • Route1
    • 2-Methyl-1,4-dinitroimidazole|CS-0748406
      19182-82-2
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~85%
    • 2-(2-Methyl-4-nitro-1h-imidazol-1-yl)acetic acid|CS-0216684
      16230-87-8

    References

    • Suwinski; Szczepankiewicz; Widel Archiv der Pharmazie, 1992 , vol. 325, # 6 p. 317 - 324
  • Route2
    • Ethyl 2-(2-methyl-4-nitro-1h-imidazol-1-yl)acetate|CS-0299146
      13230-22-3
    • ~53%
    • 2-(2-Methyl-4-nitro-1h-imidazol-1-yl)acetic acid|CS-0216684
      16230-87-8

    References

    • Kochergin; Aleksandrova; Korsunskii; Shlikhunova Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 2 p. 178 - 181

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   98.26
  • LogP   0.18432
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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