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CS-W001157 4
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3-(2-Oxoimidazolidin-1-yl)benzonitrile

  • CAS No. 62868-34-2

  • Cat. No. CS-0237496
  • Purity≥95%
  • MDL No.None

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

3-(2-Oxoimidazolidin-1-yl)benzonitrile|CS-0237496

Structure of 62868-34-2

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General Information

  • CAS No. 62868-34-2
  • Cat. No. CS-0237496
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃O
  • Molecular Weight 187.20
  • Synonym(s) 3-(2-oxo-imidazolidin-1-yl)-benzonitrile
  • SMILES N#CC1=CC=CC(N2CCNC2=O)=C1

Synthesis

  • Route1
    • 3-(2-Chloroethyl)-1-(3-cyanophenyl)urea|CS-0237442
      803729-99-9
    • ~72%
    • 3-(2-Oxoimidazolidin-1-yl)benzonitrile|CS-0237496
      62868-34-2

    References

    • Brandl, Trixi; Maier, Udo; Hoenke, Christoph; Joergensen, Anne T.; Pautsch, Alexander; Breitfelder, Steffen; Grauert, Matthias; Hoffmann, Matthias; Scheuerer, Stefan; Erb, Klaus; Pieper, Michael; Pragst, Ingo Patent: US2007/238746 A1, 2007 ; Location in patent: Page/Page column 19 ; Title/Abstract Full Text Show Details Maier, Udo; Grauert, Matthias; Hoffmann, Matthias; Hoenke, Christoph; Joergensen, Anne T.; Pautsch, Alexander; Brandl, Trixi; Breitfelder, Steffen; Scheuerer, Stefan; Erb, Klaus; Pieper, Michael; Pragst, Ingo Patent: US2007/259855 A1, 2007 ; Location in patent: Page/Page column 19 ;

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.13
  • LogP   1.08788
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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