λ4-cerium(4+) ion tetrakis(2-methoxyethan-1-olate)

• ChemBase ID: 303523
• Molecular Formular: C12H28CeO8
• Molecular Mass: 440.46192
• Monoisotopic Mass: 440.08385586
• SMILES: COCC[O-].COCC[O-].COCC[O-].COCC[O-].[Ce+4]
• Canonical SMILES: [O-]CCOC.[O-]CCOC.[O-]CCOC.[O-]CCOC.[Ce+4]
• InChI: InChI=1S/4C3H7O2.Ce/c4*1-5-3-2-4;/h4*2-3H2,1H3;/q4*-1;+4
• InChIKey: JRRALIVAHBLZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^4-cerium(4+) ion tetrakis(2-methoxyethan-1-olate)
• IUPAC Traditional name: λ^4-cerium(4+) ion tetrakis(2-methoxyethanolate)
• Synonyms: Cerium(IV) 2-methoxyethoxide; 2-甲氧基乙醇铈(IV)

Database IDs

• CAS Number: 876107-33-4
• MDL Number: MFCD00236530

CALCULATED PROPERTIES

• Acid pKa: 15.122039
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5655526
• LogD (pH = 7.4): -0.5655526
• Log P: -0.5655526
• Molar Refractivity: 29.8551 cm^3
• Polarizability: 7.3166437 Å^3
• Polar Surface Area: 32.29 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Density: 1.02

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN1188
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 60-61-10-20/21/22
• Safety Statements: 53-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Hazard statements: H360-H226-H302-H312-H332
• GHS Precautionary statements: P201-P308+P313

Product Information

• Purity: 18-20% w/w in 2-methoxyethanol