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2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile

  • CAS No. 115905-43-6

  • Cat. No. CS-0018850
  • Molecule weight211.02
  • Purity≥97%
  • MDL No.MFCD00174289

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

2-Bromo-1-methyl-1H-imidazole-4,5-dicarbonitrile|CS-0018850

Structure of 115905-43-6

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General Information

  • CAS No. 115905-43-6
  • Cat. No. CS-0018850
  • Purity ≥97%
  • MDL No. MFCD00174289
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrN₄
  • Molecular Weight 211.02
  • Synonym(s) 1-Methyl-2-bromo-4,5-dicyanoimidazole; 1-Methyl-2-bromoimidazole-4,5-dicarbonitrile; 2-Bromo-1-methyl-4,5-dicyanoimidazole
  • SMILES N#CC1=C(C#N)N(C)C(Br)=N1

Synthesis

  • Route1

    References

    • Densmore, Crystal G.; Rasmussen, Paul G. Macromolecules, 2004 , vol. 37, # 16 p. 5900 - 5910

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   65.4
  • LogP   0.92596
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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