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5-Methyl-1-phenyl-1H-pyrazole

  • CAS No. 6831-91-0

  • Cat. No. CS-0094012
  • Purity≥96%
  • MDL No.MFCD03086113

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

5-Methyl-1-phenyl-1H-pyrazole|CS-0094012

Structure of 6831-91-0

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General Information

  • CAS No. 6831-91-0
  • Cat. No. CS-0094012
  • Purity ≥96%
  • MDL No. MFCD03086113
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂
  • Molecular Weight 158.20
  • Synonym(s) ethyl4-(4-methoxy-3-methylphenyl)-2,5-dioxobutanoate
  • SMILES CC1=CC=NN1C2=CC=CC=C2

Synthesis

  • Route1

    References

    • European Journal of Organic Chemistry, , # 4 p. 695 - 709
  • Route2
    • null|null
      18714-79-9
    • ~86%
    • In-stock
      5-Methyl-1-phenyl-1H-pyrazole|CS-0094012
      6831-91-0

    References

    • Peruncheralathan; Khan; Ila; Junjappa Journal of Organic Chemistry, 2005 , vol. 70, # 24 p. 10030 - 10035
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 49, # 15 p. 2663 - 2669

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   2.18072
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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