tris(λ2-lead(2+) ion) bis(1,3,5-triazine-2,4,6-tris(olate)) hydrate

• ChemBase ID: 303097
• Molecular Formular: C6H2N6O7Pb3
• Molecular Mass: 891.71608
• Monoisotopic Mass: 893.92845243
• SMILES: c1(nc(nc(n1)[O-])[O-])[O-].c1(nc(nc(n1)[O-])[O-])[O-].O.[Pb+2].[Pb+2].[Pb+2]
• Canonical SMILES: [O-]c1nc([O-])nc(n1)[O-].[O-]c1nc([O-])nc(n1)[O-].O.[Pb+2].[Pb+2].[Pb+2]
• InChI: InChI=1S/2C3H3N3O3.H2O.3Pb/c2*7-1-4-2(8)6-3(9)5-1;;;;/h2*(H3,4,5,6,7,8,9);1H2;;;/q;;;3*+2/p-6
• InChIKey: NSIWJBGAFXEVNX-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(λ^2-lead(2+) ion) bis(1,3,5-triazine-2,4,6-tris(olate)) hydrate
• IUPAC Traditional name: tris(λ^2-lead(2+) ion) bis(1,3,5-triazine-2,4,6-tris(olate)) hydrate
• Synonyms: Cyanuric acid lead(II) salt monohydrate; Lead(II) cyanurate monohydrate; 氰脲酸铅(II)单水合物

Database IDs

• CAS Number: 53846-29-0
• EC Number: 259-227-0
• MDL Number: MFCD00064816

CALCULATED PROPERTIES

• Acid pKa: 13.5854
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.9813941
• LogD (pH = 7.4): 0.9813938
• Log P: 0.9813941
• Molar Refractivity: 59.9532 cm^3
• Polarizability: 9.010414 Å^3
• Polar Surface Area: 107.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3467
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 61-62-20/22-33-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Hazard statements: H360-H373-H400-H410-H302-H332
• GHS Precautionary statements: P260-P261-P281-P304+P340-P405-P501A