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CS-W001157 4
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3-(1H-Imidazol-1-yl)benzonitrile

  • CAS No. 25699-85-8

  • Cat. No. CS-0206367
  • Purity≥95%
  • MDL No.MFCD07368519

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

3-(1H-Imidazol-1-yl)benzonitrile|CS-0206367

Structure of 25699-85-8

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General Information

  • CAS No. 25699-85-8
  • Cat. No. CS-0206367
  • Purity ≥95%
  • MDL No. MFCD07368519
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇N₃
  • Molecular Weight 169.18
  • Synonym(s) 1-(3-cyanophenyl)imidazole
  • SMILES C1=CC(=CC(=C1)N2C=CN=C2)C#N

Synthesis

  • Route1
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • 3-Fluorobenzonitrile Crisaborole  Impurity|CS-0229060
      403-54-3
    • ~99%
    • 3-(1H-Imidazol-1-yl)benzonitrile|CS-0206367
      25699-85-8

    References

    • Bristol-Myers Squibb Pharma Company Patent: EP946508 B1, 2009 ; Location in patent: Page/Page column 34 ;
  • Route2

    References

    • Altman, Ryan A.; Buchwald, Stephen L. Organic Letters, 2006 , vol. 8, # 13 p. 2779 - 2782
  • Route3

    References

    • Suresh, Palaniswamy; Pitchumani, Kasi Journal of Organic Chemistry, 2008 , vol. 73, # 22 p. 9121 - 9124

Safety Information

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   1.74398
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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