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

• ChemBase ID: 130802
• Molecular Formular: CeH20N4O18S4
• Molecular Mass: 632.5508
• Monoisotopic Mass: 631.87098182
• SMILES: N.N.N.N.O.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.O.[Ce+4]
• InChI: InChI=1S/Ce.4H3N.4H2O4S.2H2O/c;;;;;4*1-5(2,3)4;;/h;4*1H3;4*(H2,1,2,3,4);2*1H2/q+4;;;;;;;;;;/p-4
• InChIKey: VCNAMBGKEDPVGQ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^4-cerium(4+) ion tetraamine dihydrate tetrahydrogen sulfate
• IUPAC Traditional name: λ^4-cerium(4+) ion tetraamine dihydrate tetrahydrogensulfate
• Synonyms: Ceric ammonium sulfate; Cerium(IV) ammonium sulfate; Ammonium cerium(IV) sulfate dihydrate; 硫酸铈铵; 硫酸铈(IV)铵 二水合物

Database IDs

• CAS Number: 10378-47-9
• MDL Number: MFCD00149417
• PubChem SID: 24858853; 24853259; 24853349; 162225080; 24863935
• PubChem CID: 71308344

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false
• 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

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 130 °C(lit.)

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: ≥94%; ≥95%; ≥98.0% (RT); ≥99%
• Grade: ACS reagent; puriss. p.a.
• Compostion: Ce(IV), ≥20%
• Impurities: ≤0.005% heavy metals (as Pb); ≤0.005% insoluble in acid; ≤0.05% insol. dil. H2SO4
• Cation Traces: Fe: ≤0.01%; Fe: ≤100 mg/kg; Fe: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤10 mg/kg; phosphate (PO43-): ≤0.03%; phosphate (PO43-): ≤300 mg/kg; phosphate (PO43-): ≤50 mg/kg
• Linear Formula: Ce(NH4)4(SO4)4 · 2H2O

DETAILS

Sigma Aldrich - 221759

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 383090

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 31173

Application
Ammonium cerium(IV) sulfate was used in thin-layer chromatography for the detection of anti-depreβant drugs in human blood and urine samples. 1