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Ethyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate

  • CAS No. 1564-49-4

  • Cat. No. CS-0036350
  • Purity≥98%
  • MDL No.MFCD03789116

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

Ethyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate|CS-0036350

Structure of 1564-49-4

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General Information

  • CAS No. 1564-49-4
  • Cat. No. CS-0036350
  • Purity ≥98%
  • MDL No. MFCD03789116
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉N₃O₄
  • Molecular Weight 199.16
  • Synonym(s) ETHYL 1-METHYL-5-NITROIMIDAZOLE-2-CARBOXYLATE
  • SMILES CCOC(=O)C1=NC=C(N1C)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Krowicki, Krzysztof; Lown, J. William Journal of Organic Chemistry, 1987 , vol. 52, # 16 p. 3493 - 3501

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

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Computational Chemistry Data

  • TPSA   87.26
  • LogP   0.505
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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