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CS-W001157 4
Total: USD 88.00

1-Phenylpyrazole

  • CAS No. 1126-00-7

  • Cat. No. CS-0076023
  • Purity≥98%
  • MDL No.MFCD00003112

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

1-Phenylpyrazole|CS-0076023

Structure of 1126-00-7

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General Information

  • CAS No. 1126-00-7
  • Cat. No. CS-0076023
  • Purity ≥98%
  • MDL No. MFCD00003112
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂
  • Molecular Weight 144.17
  • Synonym(s) N-Phenylpyrazole
  • SMILES N1(C2=CC=CC=C2)N=CC=C1

Description

1-Phenylpyrazole undergoes cyclometallation with rhodium trichloride to yield rac-di(-chloro)tetrakis[2-(pyrazol-1-yl)phenyl-C1,N2]dirhodium. The activation of the C-H bond of 1-phenylpyrazole autocatalyzed by the co-product HOAc was studied.1-Phenylpyrazole has been used:in the preparation of 4,5-diphenylpyrazolo[1,5-a]quinoline, 1-(1,2,3,4-tetraphenylnaphthalen-5-yl)pyrazole and 1-(1,2,3,4,5,6,7,8-octaphenylanthracen-9-yl)pyrazoleas cyclometallated ligand in the preparation of new heteroleptic iridium(III) complexes

Synthesis

  • Route1

    References

    • Angewandte Chemie - International Edition, , vol. 46, # 6 p. 934 - 936
  • Route2
    • In-stock
      1H-pyrazole|CS-W008829
      288-13-1
    • null|null
      108-86-1
    • ~99%
    • In-stock
      1-Phenylpyrazole|CS-0076023
      1126-00-7

    References

    • European Journal of Organic Chemistry, , # 4 p. 695 - 709
  • Route3
    • Imidazole Ondansetron Impurity|CS-0229601
      288-32-4
    • null|null
      108-86-1
    • ~90%
    • In-stock
      1-Phenylpyrazole|CS-0076023
      1126-00-7

    References

    • Journal of the American Chemical Society, , vol. 129, # 45 p. 13879 - 13886

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   17.82
  • LogP   1.8723
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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