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CS-W001157 4
Total: USD 88.00

1-Benzyl-1H-imidazole-5-carbaldehyde

  • CAS No. 85102-99-4

  • Cat. No. CS-0053923
  • Molecule weight186.21
  • Purity≥97%
  • MDL No.MFCD02179539

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

1-Benzyl-1H-imidazole-5-carbaldehyde|CS-0053923

Structure of 85102-99-4

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General Information

  • CAS No. 85102-99-4
  • Cat. No. CS-0053923
  • Purity ≥97%
  • MDL No. MFCD02179539
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O
  • Molecular Weight 186.21
  • Synonym(s) 3-benzylimidazole-4-carbaldehyde
  • SMILES O=CC1=CN=CN1CC1=CC=CC=C1

Synthesis

  • Route1
    • 1-(Phenylmethyl)-1H-imidazole-5-methanol|CS-0206607
      80304-50-3
    • ~93%
    • 1-Benzyl-1H-imidazole-5-carbaldehyde|CS-0053923
      85102-99-4

    References

    • Kokosa, John M.; Szafasz, Richard A.; Tagupa, Eumar Journal of Organic Chemistry, 1983 , vol. 48, # 20 p. 3605 - 3607
  • Route2

    References

    • Perez, Michel; Lamothe, Marie; Hill, Bridget; Etievant, Chantal Patent: US2004/204417 A1, 2004 ; Location in patent: Page 47-48 ; US 20040204417 A1
  • Route3
    • null|null
      160999-35-9
    • ~82%
    • 1-Benzyl-1H-imidazole-5-carbaldehyde|CS-0053923
      85102-99-4

    References

    • Cappon, J. J.; Witters, K. D.; Baart, J.; Verdegem, P. J. E.; Hoek, A. C.; et al. Recueil des Travaux Chimiques des Pays-Bas, 1994 , vol. 113, # 6 p. 318 - 328

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.7439
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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