barium(2+) ion bis(propan-2-olate)

• ChemBase ID: 303015
• Molecular Formular: C6H14BaO2
• Molecular Mass: 255.50116
• Monoisotopic Mass: 256.00462669
• SMILES: CC(C)[O-].CC(C)[O-].[Ba+2]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[Ba+2]
• InChI: InChI=1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
• InChIKey: CPUJSIVIXCTVEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion bis(propan-2-olate)
• IUPAC Traditional name: barium(2+) ion bis(propan-2-olate)
• Synonyms: Barium isopropoxide; 异丙氧基钡

Database IDs

• CAS Number: 24363-37-9
• MDL Number: MFCD00050486

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid; Powder; Powder/Lump
• Melting Point: ca 200°C dec.
• Flash Point: 22°C(72°F)
• Density: 0.89

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: UN3205; UN3274
• Hazard Class: 3; 4.2
• Packing Group: II; III
• Risk Statements: 10-20/22-34-67; 11-20/22-34
• Safety Statements: 16-23-26-36/37/39-45; 16-26-28-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H225-H302-H319-H336-H333; H314-H318-H228-H252-H302-H332
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P303+P361+P353-P305+P351+P338-P302+P352-P310

Product Information

• Purity: 20% w/v in isopropanol; 99.5% (metals basis)