thallium(3+) ion hexahydrate triperchlorate

• ChemBase ID: 106725
• Molecular Formular: Cl3H12O18Tl
• Molecular Mass: 610.82678
• Monoisotopic Mass: 609.88334858
• SMILES: O.O.O.O.O.O.[Tl+3].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.O.O.O.O.O.[Tl+3]
• InChI: InChI=1S/3ClHO4.6H2O.Tl/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);6*1H2;/q;;;;;;;;;+3/p-3
• InChIKey: OSXCISGVIPGBLK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: thallium(3+) ion hexahydrate triperchlorate
• IUPAC Traditional name: thallium, ion hexahydrate triperchlorate ion
• Synonyms: THALLIUM PERCHLORATE (OUS)

Database IDs

• CAS Number: 15596-83-5
• EC Number: 239-677-4
• PubChem SID: 162093433
• PubChem CID: 3084239

CALCULATED PROPERTIES

• Acid pKa: -6.8919964
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4740524
• LogD (pH = 7.4): -2.4740524
• Log P: -0.097653694
• Molar Refractivity: 11.9079 cm^3
• Polarizability: 5.355259 Å^3
• Polar Surface Area: 74.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05201192

MP Biomedicals Rare Chemical collection