dicerium(3+) ion octahydrate trisulfate

• ChemBase ID: 148411
• Molecular Formular: Ce2H16O20S3
• Molecular Mass: 712.54204
• Monoisotopic Mass: 711.75058191
• SMILES: O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+3].[Ce+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.[Ce+3].[Ce+3]
• InChI: InChI=1S/2Ce.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6
• InChIKey: PQBKXYUMEMUVIH-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dicerium(3+) ion octahydrate trisulfate
• IUPAC Traditional name: dicerium(3+) ion octahydrate trisulfate
• Synonyms: Cerium(III) sulfate octahydrate; 硫酸亚铈(III) 八水合物

Database IDs

• CAS Number: 10450-59-6
• EC Number: 246-392-9
• MDL Number: MFCD00149641
• PubChem SID: 24852138; 162242587
• PubChem CID: 16212929

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Density: 2.886 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: Ce2(SO4)3·8H2O

DETAILS

Sigma Aldrich - 203009

Packaging
50 g in poly bottle