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CS-W001157 4
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5-Methyl-1H-pyrazol-3(2H)-one

  • CAS No. 4344-87-0

  • Cat. No. CS-W013725
  • Purity≥98%
  • MDL No.MFCD00010705

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

5-Methyl-1H-pyrazol-3(2H)-one|CS-W013725

Structure of 4344-87-0

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General Information

  • CAS No. 4344-87-0
  • Cat. No. CS-W013725
  • Purity ≥98%
  • MDL No. MFCD00010705
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆N₂O
  • Molecular Weight 98.10
  • Synonym(s) 3-Methyl-3-pyrazolin-5-one
  • SMILES CC(NN1)=CC1=O

Synthesis

  • Route1

    References

    • Dandia, Anshu; Parewa, Vijay; Gupta, Shyam L.; Rathore, Kuldeep S. Journal of Molecular Catalysis A: Chemical, 2013 , vol. 373, p. 61 - 71
  • Route2
    • Ethyl (Z)-2-acetyl-3-hydroxybut-2-enoate|CS-0448909
      1830-94-0
    • ~86%
    • In-stock
      5-Methyl-1H-pyrazol-3(2H)-one|CS-W013725
      4344-87-0

    References

    • Jung, Jae-Chul; Watkins, E.Blake; Avery, Mitchell A Tetrahedron, 2002 , vol. 58, # 18 p. 3639 - 3646
  • Route3

    References

    • Yamazaki, Kazuo; Nakamura, Yosuke; Kondo, Yoshinori Journal of Organic Chemistry, 2003 , vol. 68, # 15 p. 6011 - 6019

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

Quality Control

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Computational Chemistry Data

  • TPSA   48.65
  • LogP   0.01142
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   0

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