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CS-W001157 4
Total: USD 88.00

Methyl 4-nitro-1H-imidazole-5-carboxylate

  • CAS No. 20271-20-9

  • Cat. No. CS-0043773
  • Molecule weight171.11
  • Purity≥98%
  • MDL No.MFCD01105422

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

Methyl 4-nitro-1H-imidazole-5-carboxylate|CS-0043773

Structure of 20271-20-9

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General Information

  • CAS No. 20271-20-9
  • Cat. No. CS-0043773
  • Purity ≥98%
  • MDL No. MFCD01105422
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₄
  • Molecular Weight 171.11
  • Synonym(s) Methyl 5-Nitroimidazole-4-carboxylate
  • SMILES O=C(C1=C([N+]([O-])=O)NC=N1)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      1H-Imidazole-4-carboxylic acid|CS-W007695
      1072-84-0
    • ~45%
    • In-stock
      Methyl 4-nitro-1H-imidazole-5-carboxylate|CS-0043773
      20271-20-9

    References

    • MERCK SHARP and DOHME LIMITED; HOLLINGWORTH, Gregory, John; JONES, A., Brian; SPAREY, Timothy, Jason Patent: WO2005/49613 A1, 2005 ; Location in patent: Page/Page column 44 ; WO 2005/049613 A1
  • Route2
    • null|null
      67-56-1
    • ~%
    • In-stock
      Methyl 4-nitro-1H-imidazole-5-carboxylate|CS-0043773
      20271-20-9

    References

    • Windaus; Langenbeck Chemische Berichte, 1923 , vol. 56, p. 684
  • Route3
    • null|null
      67-56-1
    • In-stock
      4-Nitro-1H-imidazole-5-carboxylic acid|CS-0213131
      40507-59-3
    • ~%
    • In-stock
      Methyl 4-nitro-1H-imidazole-5-carboxylate|CS-0043773
      20271-20-9

    References

    • Kulew; Roshkow Zhurnal Obshchei Khimii, 1957 , vol. 27, p. 1389;engl.Ausg.S.1470

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   98.12
  • LogP   0.1045
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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