λ4-cerium(4+) ion tetraamine hydrate tetrahydrogen sulfate

• ChemBase ID: 148029
• Molecular Formular: CeH18N4O17S4
• Molecular Mass: 614.53552
• Monoisotopic Mass: 613.86041714
• SMILES: N.N.N.N.O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].OS(=O)(=O)[O-].OS(=O)(=O)[O-].[Ce+4]
• Canonical SMILES: [O-]S(=O)(=O)O.[O-]S(=O)(=O)O.[O-]S(=O)(=O)O.[O-]S(=O)(=O)O.N.N.N.N.O.[Ce+4]
• InChI: InChI=1S/Ce.4H3N.4H2O4S.H2O/c;;;;;4*1-5(2,3)4;/h;4*1H3;4*(H2,1,2,3,4);1H2/q+4;;;;;;;;;/p-4
• InChIKey: KAQXQPIKRXFEPY-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^4-cerium(4+) ion tetraamine hydrate tetrahydrogen sulfate
• IUPAC Traditional name: λ^4-cerium(4+) ion tetraamine hydrate tetrahydrogensulfate
• Synonyms: Ammonium cerium(IV) sulfate hydrate; 硫酸铈(IV)铵 水合物

Database IDs

• CAS Number: 7637-03-8(anhydrous)
• MDL Number: MFCD00149415
• PubChem SID: 162242209; 24871909
• PubChem CID: 71311322

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 12.6491 cm^3
• Polarizability: 6.158906 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: chunks; granular; powder

Safety Information

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

Product Information

• Purity: ≥99.99% trace metals basis
• Linear Formula: Ce(NH4)4(SO4)4 · xH2O

DETAILS

Sigma Aldrich - 483680

Packaging
25 g in poly bottle