Cas no 28710-59-0 (1H-Pyrazole, 5-(4-nitrophenyl)-1,3-diphenyl-)

1H-Pyrazole, 5-(4-nitrophenyl)-1,3-diphenyl- structure
28710-59-0 structure
Product Name:1H-Pyrazole, 5-(4-nitrophenyl)-1,3-diphenyl-
CAS No:28710-59-0
MF:C21H15N3O2
MW:341.362704515457
CID:1435779
Update Time:2024-08-15

1H-Pyrazole, 5-(4-nitrophenyl)-1,3-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 5-(4-nitrophenyl)-1,3-diphenyl-
    • Inchi: 1S/C21H15N3O2/c25-24(26)19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22-23(21)18-9-5-2-6-10-18/h1-15H
    • InChI Key: APYDLLGYYWOWLI-UHFFFAOYSA-N
    • SMILES: N1(C2=CC=CC=C2)C(C2=CC=C([N+]([O-])=O)C=C2)=CC(C2=CC=CC=C2)=N1

Computed Properties

  • Exact Mass: 341.11655

Experimental Properties

  • Density: 1.23±0.1 g/cm3(Predicted)
  • Melting Point: 139-140 °C
  • Boiling Point: 540.2±35.0 °C(Predicted)
  • PSA: 60.96
  • pka: -1.99±0.10(Predicted)
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