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CS-W001157 4
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3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid

  • CAS No. 61226-19-5

  • Cat. No. CS-0071642
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD02656670

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

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid|CS-0071642

Structure of 61226-19-5

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General Information

  • CAS No. 61226-19-5
  • Cat. No. CS-0071642
  • Purity ≥97%
  • MDL No. MFCD02656670
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₂O₂
  • Molecular Weight None
  • Synonym(s) (3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carboxylic acid
  • SMILES O=C(O)C1=C(C)N(C2=CC=CC=C2)N=C1C

Synthesis

  • Route1

    References

    • Lyalin; Petrosyan Russian Chemical Bulletin, 2012 , vol. 61, # 6 p. 1148 - 1153 Izv. Akad. Nauk, Ser. Khim., 2012 , vol. 61, # 6 p. 1139 - 1143,5
  • Route2
    • 3,5-DImethyl-1-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester|CS-0714013
      89193-18-0
    • ~%
    • In-stock
      3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid|CS-0071642
      61226-19-5

    References

    • Gazzetta Chimica Italiana, , vol. 72, p. 423,428 Helvetica Chimica Acta, , vol. 35, p. 478,483
  • Route3
    • null|null
      61226-20-8
    • ~%
    • In-stock
      3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid|CS-0071642
      61226-19-5

    References

    • Synthesis, , # 9 p. 753 - 755

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.18734
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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