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5-Formyl-2-(4-methyl-1H-imidazol-1-yl)-Benzonitrile

  • CAS No. 1170735-10-0

  • Cat. No. CS-B0186
  • Molecule weight211.22
  • Purity≥98%
  • MDL No.MFCD13180644

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

5-Formyl-2-(4-methyl-1H-imidazol-1-yl)-Benzonitrile|CS-B0186

Structure of 1170735-10-0

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General Information

  • CAS No. 1170735-10-0
  • Cat. No. CS-B0186
  • Purity ≥98%
  • MDL No. MFCD13180644
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N₃O
  • Molecular Weight 211.22
  • Synonym(s) 5-Formyl-2-(4-methyl-1H-imidazol-1-yl)benzonitrile
  • SMILES N#CC1=CC(C=O)=CC=C1N2C=NC(C)=C2

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2008/156580 A1, 2008 ; Location in patent: Page/Page column 31-32 ; WO 2008/156580 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

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Computational Chemistry Data

  • TPSA   58.68
  • LogP   1.8649
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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