barium(2+) ion diethanolate

• ChemBase ID: 303252
• Molecular Formular: C4H10BaO2
• Molecular Mass: 227.448
• Monoisotopic Mass: 227.97332656
• SMILES: CC[O-].CC[O-].[Ba+2]
• Canonical SMILES: [O-]CC.[O-]CC.[Ba+2]
• InChI: InChI=1S/2C2H5O.Ba/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
• InChIKey: GYIWFHXWLCXGQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion diethanolate
• IUPAC Traditional name: barium(2+) ion bis(ethoxide)
• Synonyms: Barium ethoxide; 乙醇钡

Database IDs

• CAS Number: 2914-19-4
• EC Number: 220-829-3
• MDL Number: MFCD00050488

CALCULATED PROPERTIES

• Acid pKa: 16.470615
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1617691
• LogD (pH = 7.4): -0.1617691
• Log P: -0.1617691
• Molar Refractivity: 23.5602 cm^3
• Polarizability: 4.748913 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: UN3274
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-20/22-34
• Safety Statements: 16-26-28-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H225-H314-H318-H302-H332
• GHS Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P302+P352-P310

Product Information

• Purity: 99.5% (metals basis), 10% w/v in ethanol