dicerium(3+) ion hydrate trisulfate

• ChemBase ID: 107123
• Molecular Formular: Ce2H2O13S3
• Molecular Mass: 586.43508
• Monoisotopic Mass: 585.67662912
• SMILES: O.[Ce+3].[Ce+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.[Ce+3].[Ce+3]
• InChI: InChI=1S/2Ce.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
• InChIKey: KKVSNHQGJGJMHA-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dicerium(3+) ion hydrate trisulfate
• IUPAC Traditional name: dicerium(3+) hydrate trisulfate; dicerium(3+) ion hydrate trisulfate
• Synonyms: CEROUS SULFATE, HYDRATE; Cerium(III) sulfate hydrate; 硫酸亚铈(III) 水合物

Database IDs

• CAS Number: 13550-47-5
• EC Number: 246-392-9; 237-029-5
• MDL Number: MFCD00149637
• PubChem SID: 162093771; 24868435
• PubChem CID: 16211467

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: 2.89 g/mL at 25 °C(lit.)

Safety Information

• RTECS: WS6960000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Linear Formula: Ce2(SO4)3·xH2O

DETAILS

MP Biomedicals - 05202656

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 448834

Packaging
50, 250 g in glass bottle