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CS-W001157 4
Total: USD 88.00

1,2-Dimethyl-4-nitro-1H-imidazole-5-carboxylic acid

  • CAS No. 54828-06-7

  • Cat. No. CS-0322940
  • Molecule weight185.14
  • Purity≥98%
  • MDL No.None

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

1,2-Dimethyl-4-nitro-1H-imidazole-5-carboxylic acid|CS-0322940

Structure of 54828-06-7

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General Information

  • CAS No. 54828-06-7
  • Cat. No. CS-0322940
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O₄
  • Molecular Weight 185.14
  • Synonym(s) 2,3-dimethyl-5-nitro-3H-imidazole-4-carboxylic acid
  • SMILES O=C(C1=C([N+]([O-])=O)N=C(C)N1C)O

Synthesis

  • Route1
    • 5-Bromo-1,2-dimethyl-4-nitro-1h-imidazole|CS-0251377
      21117-52-2
    • ~%
    • 1,2-Dimethyl-4-nitro-1H-imidazole-5-carboxylic acid|CS-0322940
      54828-06-7

    References

    • Kiselyov, Alexander S.; Piatnitski, Evgueni L.; Samet, Alexander V.; Kisliy, Victor P.; Semenov, Victor V. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1369 - 1375
  • Route2
    • 1,2-Dimethyl-4-nitro-1H-imidazole-5-carbonitrile|CS-0941812
      127342-45-4
    • ~%
    • 1,2-Dimethyl-4-nitro-1H-imidazole-5-carboxylic acid|CS-0322940
      54828-06-7

    References

    • Kiselyov, Alexander S.; Piatnitski, Evgueni L.; Samet, Alexander V.; Kisliy, Victor P.; Semenov, Victor V. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1369 - 1375

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   98.26
  • LogP   0.33492
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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