λ2-lead(2+) ion 2,4,6-trinitrobenzene-1,3-bis(olate)

• ChemBase ID: 128027
• Molecular Formular: C6HN3O8Pb
• Molecular Mass: 450.28744
• Monoisotopic Mass: 450.95301601
• SMILES: c1c(c(c(c(c1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].[Pb+2]
• Canonical SMILES: [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1[O-])[N+](=O)[O-])[O-].[Pb+2]
• InChI: InChI=1S/C6H3N3O8.Pb/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;/h1,10-11H;/q;+2/p-2
• InChIKey: WETZJIOEDGMBMA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-lead(2+) ion 2,4,6-trinitrobenzene-1,3-bis(olate)
• IUPAC Traditional name: λ^2-lead(2+) ion 2,4,6-trinitrobenzene-1,3-bis(olate)
• Synonyms: Lead styphnate

Database IDs

• CAS Number: 15245-44-0
• PubChem SID: 162222343
• PubChem CID: 61789
• Chemspider ID: 21106132
• Wikipedia Title: Lead_styphnate

CALCULATED PROPERTIES

• Acid pKa: 1.2526646
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -2.290141
• LogD (pH = 7.4): -2.3072784
• Log P: 1.1860677
• Molar Refractivity: 73.0945 cm^3
• Polarizability: 17.316587 Å^3
• Polar Surface Area: 183.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Auto Ignition Point: 330 °C
• Density: 3.02 g/cm^3, solid

Safety Information

• UN Number: 0130
• Explosive Velocity: 5200 m/s
• Friction Sensitivity: High
• Shock Sensitivity: High