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CS-W001157 4
Total: USD 88.00

1-Benzyl-4-nitro-1H-imidazole

  • CAS No. 13230-13-2

  • Cat. No. CS-0334488
  • Purity≥98%
  • MDL No.MFCD00579744

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

1-Benzyl-4-nitro-1H-imidazole|CS-0334488

Structure of 13230-13-2

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General Information

  • CAS No. 13230-13-2
  • Cat. No. CS-0334488
  • Purity ≥98%
  • MDL No. MFCD00579744
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃O₂
  • Molecular Weight 203.20
  • Synonym(s) 4-nitro-1-(phenylmethyl)imidazole
  • SMILES C1=CC=C(C=C1)CN2C=C(N=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • 5-Nitroimidazole Metronidazole  Impurity|CS-0229038
      3034-38-6
    • null|null
      100-39-0
    • ~89%
    • 1-Benzyl-4-nitro-1H-imidazole|CS-0334488
      13230-13-2

    References

    • Makosza, M.; Owczarczyk, Z. Journal of Organic Chemistry, 1989 , vol. 54, # 21 p. 5094 - 5100
  • Route2
    • null|null
      100-44-7
    • ~69%
    • 1-Benzyl-4-nitro-1H-imidazole|CS-0334488
      13230-13-2

    References

    • Crozet, Maxime D.; Suspene, Clement; Kaafarani, Mustapha; Crozet, Michel P.; Vanelle, Patrice Heterocycles, 2004 , vol. 63, # 7 p. 1629 - 1635
  • Route3
    • null|null
      100-39-0
    • null|null
      126401-72-7
    • ~68%
    • 1-Benzyl-4-nitro-1H-imidazole|CS-0334488
      13230-13-2

    References

    • Searcey, M.; Pye, P. L.; Lee, J. B. Synthetic Communications, 1989 , vol. 19, # 7,8 p. 1309 - 1316

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   1.8396
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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