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1H-Pyrazole,3-(triphenylplumbyl)-

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  • Name 1H-Pyrazole,3-(triphenylplumbyl)-
  • EINECS256-968-1
  • CAS No. 51105-45-4
  • DensityN/A
  • PSA28.68000
  • LogP4.51450
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC21H18N2Pb
  • Boiling Point544.2 °C at 760 mmHg
  • Molecular Weight505.587
  • Flash Point282.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 51105-45-4 (3-(triphenylplumbyl)-1H-pyrazole)
  • Hazard SymbolsN/A
  • SynonymsN/A

1H-Pyrazole,3-(triphenylplumbyl)- Specification

The 1H-Pyrazole,3-(triphenylplumbyl)-, with the CAS registry number 51105-45-4, is also known as 3-(Triphenylplumbyl)-1H-pyrazole. Its EINECS number is 256-968-1. This chemical's molecular formula is C21H18N2Pb and molecular weight is 505.58. What's more, its IUPAC name is triphenyl(1H-pyrazol-5-yl)plumbane.

Physical properties of 1H-Pyrazole,3-(triphenylplumbyl)- are: (1)ACD/LogP: 8.08; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.82 Å2; (7)Flash Point: 282.9 °C; (8)Enthalpy of Vaporization: 79.2 kJ/mol; (9)Boiling Point: 544.2 °C at 760 mmHg; (10)Vapour Pressure: 2.38E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(n1)[Pb](c2ccccc2)(c3ccccc3)c4ccccc4
(2)Std. InChI: InChI=1S/3C6H5.C3H3N2.Pb/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;/h3*1-5H;1-2H,(H,4,5);
(3)Std. InChIKey: UQHCYQRUUQBPAU-UHFFFAOYSA-N

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