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CS-W001157 4
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1-(3,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-one

  • CAS No. 1123-48-4

  • Cat. No. CS-0313087
  • Molecule weight138.17
  • Purity95+%
  • MDL No.MFCD00234353

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

1-(3,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-one|CS-0313087

Structure of 1123-48-4

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General Information

  • CAS No. 1123-48-4
  • Cat. No. CS-0313087
  • Purity 95+%
  • MDL No. MFCD00234353
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂O
  • Molecular Weight 138.17
  • Synonym(s) 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
  • SMILES CC1=C(C(=NN1)C)C(=O)C

Synthesis

  • Route1

    References

    • Emelina, E. E.; Ershov, B. A.; Zelenin, A. K.; Selivanov, S. I. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 10 p. 1630 - 1636 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 10 p. 1548 - 1553
  • Route2
    • 3-Acetylpentane-2,4-dione|CS-0523508
      815-68-9
    • ~%
    • 1-(3,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-one|CS-0313087
      1123-48-4

    References

    • Seidel et al. Chemische Berichte, 1935 , vol. 68, p. 1913,1922

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   45.75
  • LogP   1.22914
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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