lanthanum(3+) ion tris(2-methoxyethan-1-olate)

• ChemBase ID: 303662
• Molecular Formular: C9H21LaO6
• Molecular Mass: 364.16494
• Monoisotopic Mass: 364.04016639
• SMILES: COCC[O-].COCC[O-].COCC[O-].[La+3]
• Canonical SMILES: [O-]CCOC.[O-]CCOC.[O-]CCOC.[La+3]
• InChI: InChI=1S/3C3H7O2.La/c3*1-5-3-2-4;/h3*2-3H2,1H3;/q3*-1;+3
• InChIKey: ZXGACMORJMVLLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lanthanum(3+) ion tris(2-methoxyethan-1-olate)
• IUPAC Traditional name: lanthanum(3+) ion tris(2-methoxyethanolate)
• Synonyms: Lanthanum(III) 2-methoxyethoxide; 2-甲氧基乙氧基镧(III)

Database IDs

• CAS Number: 115685-56-8
• MDL Number: MFCD00210619

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: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 124°C
• Flash Point: 40°C(104°F)
• Density: 0.96

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: 99.9% (REO), 5% w/v in 2-methoxyethanol