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CS-W001157 4
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1-(2-Chloroethyl)-2-methyl-5-nitro-1h-imidazole

  • CAS No. 13182-81-5

  • Cat. No. CS-0282356
  • Purity≥98%
  • MDL No.None

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

1-(2-Chloroethyl)-2-methyl-5-nitro-1h-imidazole|CS-0282356

Structure of 13182-81-5

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General Information

  • CAS No. 13182-81-5
  • Cat. No. CS-0282356
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈ClN₃O₂
  • Molecular Weight 189.60
  • Synonym(s) 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole
  • SMILES CC1=NC=C(N1CCCl)[N+](=O)[O-]

Synthesis

  • Route1
    • Metronidazole solution|CS-1692844
      443-48-1
    • ~92%
    • 1-(2-Chloroethyl)-2-methyl-5-nitro-1h-imidazole|CS-0282356
      13182-81-5

    References

    • Alcalde; Manos; Valls; Elguero Journal of Heterocyclic Chemistry, 1984 , vol. 21, # 6 p. 1647 - 1651
  • Route2
    • null|null
      105-36-2
    • ~%
    • 1-(2-Chloroethyl)-2-methyl-5-nitro-1h-imidazole|CS-0282356
      13182-81-5

    References

    • US2004/29898 A1, ;

Safety Information

Download SDS
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

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   1.33852
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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