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CS-W001157 4
Total: USD 88.00

2-Methyl-1-(4-nitrobenzyl)-1H-imidazole

  • CAS No. 56643-86-8

  • Cat. No. CS-0313976
  • Purity≥98%
  • MDL No.None

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

2-Methyl-1-(4-nitrobenzyl)-1H-imidazole|CS-0313976

Structure of 56643-86-8

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General Information

  • CAS No. 56643-86-8
  • Cat. No. CS-0313976
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁N₃O₂
  • Molecular Weight 217.22
  • Synonym(s) 2-methyl-1-[(4-nitrophenyl)methyl]imidazole
  • SMILES CC1=NC=CN1CC2=CC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • 2-Methylimidazole Ondansetron  Impurity|CS-0228962
      693-98-1
    • null|null
      100-11-8
    • ~10%
    • 2-Methyl-1-(4-nitrobenzyl)-1H-imidazole|CS-0313976
      56643-86-8

    References

    • Merck Sharp and Dohme Limited Patent: US5298520 A1, 1994 ; US 5298520 A
  • Route2
    • 2-Methylimidazole Ondansetron  Impurity|CS-0228962
      693-98-1
    • 1-(4-Nitrobenzyl)-1H-imidazole(Chunks or pellets),98% (contains <10%H2O)|CS-0199350
      18994-90-6
    • ~%
    • 2-Methyl-1-(4-nitrobenzyl)-1H-imidazole|CS-0313976
      56643-86-8

    References

    • US6048884 A1, ;

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   2.14802
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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