dicerium(3+) ion trisulfate

• ChemBase ID: 139618
• Molecular Formular: Ce2O12S3
• Molecular Mass: 568.4198
• Monoisotopic Mass: 567.66606444
• SMILES: [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-].[Ce+3].[Ce+3]
• InChI: InChI=1S/2Ce.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
• InChIKey: OZECDDHOAMNMQI-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dicerium(3+) ion trisulfate
• IUPAC Traditional name: dicerium(3+) ion trisulfate
• Synonyms: Cerium(III) sulfate octahydrate, REacton®; Cerous sulfate; Cerium(III) sulfate; Cerium sesquisulfate; Dicerium trisulfate; 硫酸铈(III)八水合物, REacton®; 硫酸亚铈; 硫酸亚铈(III)

Database IDs

• CAS Number: 10450-59-6; 13454-94-9
• EC Number: 236-644-6
• MDL Number: MFCD00149641; MFCD00010931
• Merck Index: 142002
• PubChem SID: 24880718; 24858615; 162233866
• PubChem CID: 159674

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: Crystalline; powder
• Density: 2.886

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.99% trace metals basis; 97%; 99.999% (metals basis)
• Linear Formula: Ce2(SO4)3

DETAILS

Sigma Aldrich - 574201

Packaging
25 g in glass bottle

Sigma Aldrich - 307688

Packaging
50 g in glass bottle