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CS-W001157 4
Total: USD 88.00

1,4-Dimethyl-5-nitro-1H-imidazole

  • CAS No. 57658-79-4

  • Cat. No. CS-0083000
  • Molecule weight141.13
  • Purity≥98%
  • MDL No.MFCD01721570

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

1,4-Dimethyl-5-nitro-1H-imidazole|CS-0083000

Structure of 57658-79-4

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General Information

  • CAS No. 57658-79-4
  • Cat. No. CS-0083000
  • Purity ≥98%
  • MDL No. MFCD01721570
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇N₃O₂
  • Molecular Weight 141.13
  • Synonym(s) 1,4-Dimethyl-5-nitroimidazole
  • SMILES O=[N+](C1=C(C)N=CN1C)[O-]

Synthesis

  • Route1

    References

    • BASF Aktiengesellschaft Patent: US4021442 A1, 1977 ;
  • Route2
    • In-stock
      5-Methyl-4-nitro-1H-imidazole|CS-0039130
      14003-66-8
    • null|null
      149-73-5
    • ~36%
    • In-stock
      1,4-Dimethyl-5-nitro-1H-imidazole|CS-0083000
      57658-79-4

    References

    • Hosmane, Ramachandra S.; Bhan, Anila; Rauser, Michael E. Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5892 - 5895
  • Route3
    • In-stock
      5-Methyl-4-nitro-1H-imidazole|CS-0039130
      14003-66-8
    • null|null
      77-78-1
    • ~59%
    • In-stock
      1,4-Dimethyl-5-nitro-1H-imidazole|CS-0083000
      57658-79-4

    References

    • Chauviere, Gerard; Bouteille, Bernard; Enanga, Bertin; De Albuquerque, Cristina; Croft, Simon L.; Dumas, Michel; Perie, Jacques Journal of Medicinal Chemistry, 2003 , vol. 46, # 3 p. 427 - 440

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   0.63672
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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