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CS-W001157 4
Total: USD 88.00

3-(1H-Imidazol-1-yl)benzaldehyde

  • CAS No. 127404-22-2

  • Cat. No. CS-0101605
  • Purity≥97%
  • MDL No.MFCD09836178

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

3-(1H-Imidazol-1-yl)benzaldehyde|CS-0101605

Structure of 127404-22-2

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General Information

  • CAS No. 127404-22-2
  • Cat. No. CS-0101605
  • Purity ≥97%
  • MDL No. MFCD09836178
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O
  • Molecular Weight 172.18
  • Synonym(s) 3-(1-Imidazolyl)benzaldehyde
  • SMILES O=CC1=CC=CC(N2C=CN=C2)=C1

Synthesis

  • Route1
    • 1-(3-(1,3-Dioxolan-2-yl)phenyl)-1H-imidazole|CS-0447099
      151055-85-5
    • ~95%
    • 3-(1H-Imidazol-1-yl)benzaldehyde|CS-0101605
      127404-22-2

    References

    • Cozzi, Paolo; Carganico, Germano; Fusar, Domenico; Grossoni, Mauro; Menichincheri, Maria; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 20 p. 2964 - 2972
  • Route2

    References

    • Beilstein Journal of Organic Chemistry, , vol. 8, p. 841 - 849
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 36, # 20 p. 2964 - 2972

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.6848
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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