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3-(4-nitrophenyl)-1H-pyrazole

  • CAS No. 20583-31-7

  • Cat. No. CS-M0098
  • Purity≥95%
  • MDL No.MFCD00665859

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

3-(4-nitrophenyl)-1H-pyrazole|CS-M0098

Structure of 20583-31-7

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General Information

  • CAS No. 20583-31-7
  • Cat. No. CS-M0098
  • Purity ≥95%
  • MDL No. MFCD00665859
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₂
  • Molecular Weight 189.17
  • Synonym(s) 5-(4-nitrophenyl)-1H-pyrazole
  • SMILES O=[N+]([O-])C1=CC=C(C=C1)C2=NNC=C2

Synthesis

  • Route1

    References

    • Ralph, Jeffrey M.; Faitg, Thomas H.; Silva, Domingos J.; Feng, Yanhong; Blackledge, Charles W.; Adams, Jerry L. Tetrahedron Letters, 2009 , vol. 50, # 13 p. 1377 - 1380
  • Route2
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    • In-stock
      3-(4-nitrophenyl)-1H-pyrazole|CS-M0098
      20583-31-7

    References

    • US4699915 A1, ; US 4699915 A
  • Route3
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    • 5-(4-Nitrophenyl)-1h-pyrazole-4-carbaldehyde|CS-0661098
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      3-(4-nitrophenyl)-1H-pyrazole|CS-M0098
      20583-31-7

    References

    • Russian Journal of General Chemistry, , vol. 75, # 5 p. 782 - 789

Safety Information

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Quality Control

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Computational Chemistry Data

  • TPSA   71.82
  • LogP   1.9849
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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