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CS-W001157 4
Total: USD 88.00

1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid

  • CAS No. 54828-05-6

  • Cat. No. CS-0144984
  • Molecule weight171.11
  • Purity95+%
  • MDL No.MFCD00630429

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

1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid|CS-0144984

Structure of 54828-05-6

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General Information

  • CAS No. 54828-05-6
  • Cat. No. CS-0144984
  • Purity 95+%
  • MDL No. MFCD00630429
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₄
  • Molecular Weight 171.11
  • Synonym(s) None
  • SMILES O=[N+](C1=C(C(O)=O)N(C)C=N1)[O-]

Synthesis

  • Route1
    • 1-Methyl-4-nitro-1H-imidazole-5-carbonitrile|CS-0144982
      40648-96-2
    • ~92%
    • 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid|CS-0144984
      54828-05-6

    References

    • Hosmane, Ramachandra S.; Bhan, Anila; Rauser, Michael E. Heterocycles, 1986 , vol. 24, # 10 p. 2743 - 2748
  • Route2
    • Methyl 1-methyl-4-nitro-1h-imidazole-5-carboxylate|CS-0677582
      89946-67-8
    • ~%
    • 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid|CS-0144984
      54828-05-6

    References

    • Journal of the Chemical Society, , p. 232,233
  • Route3
    • 1-Methyl-4-nitro-1H-imidazole-5-carboxamide|CS-0144983
      5413-88-7
    • ~%
    • 1-Methyl-4-nitro-1H-imidazole-5-carboxylic acid|CS-0144984
      54828-05-6

    References

    • Chemische Berichte, , vol. 66, p. 1017

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   98.26
  • LogP   0.0265
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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