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CS-W001157 4
Total: USD 88.00

1-(1-Phenyl-1h-pyrazol-4-yl)ethanone

  • CAS No. 3968-40-9

  • Cat. No. CS-0206862
  • Molecule weight186.21
  • Purity95+%
  • MDL No.MFCD00159631

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

1-(1-Phenyl-1h-pyrazol-4-yl)ethanone|CS-0206862

Structure of 3968-40-9

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General Information

  • CAS No. 3968-40-9
  • Cat. No. CS-0206862
  • Purity 95+%
  • MDL No. MFCD00159631
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O
  • Molecular Weight 186.21
  • Synonym(s) 4-Acetyl-1-phenyl-1H-pyrazole
  • SMILES CC(=O)C1=CN(C2=CC=CC=C2)N=C1

Synthesis

  • Route1
    • null|null
      2600-64-8
    • ~%
    • 1-(1-Phenyl-1h-pyrazol-4-yl)ethanone|CS-0206862
      3968-40-9

    References

    • Sepulveda-Arques, Jose; Medio-Simon, Mercedes; Piqueres-Vidal, Lourdes Monatshefte fuer Chemie, 1989 , vol. 120, p. 1113 - 1118
  • Route2

    References

    • Finar; Utting Journal of the Chemical Society, 1959 , p. 4015
  • Route3
    • 1-(1-Phenyl-1h-pyrazol-4-yl)ethan-1-ol|CS-0275369
      104216-04-8
    • ~%
    • 1-(1-Phenyl-1h-pyrazol-4-yl)ethanone|CS-0206862
      3968-40-9

    References

    • Finar; Lord Journal of the Chemical Society, 1959 , p. 1819,1821

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

Quality Control

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   2.0749
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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