barium(2+) ion silanedione oxidandiide

• ChemBase ID: 303037
• Molecular Formular: BaO3Si
• Molecular Mass: 213.4107
• Monoisotopic Mass: 213.86691739
• SMILES: [O-2].O=[Si]=O.[Ba+2]
• Canonical SMILES: O=[Si]=O.[O-2].[Ba+2]
• InChI: InChI=1S/Ba.O2Si.O/c;1-3-2;/q+2;;-2
• InChIKey: HZMDUHXTNIGNKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion silanedione oxidandiide
• IUPAC Traditional name: barium(2+) ion silica oxidandiide
• Synonyms: Barium metasilicate; Barium silicate; Barium silicon oxide; 硅氧化钡

Database IDs

• CAS Number: 13255-26-0
• MDL Number: MFCD00014186

CALCULATED PROPERTIES

• Polarizability: 3.6543093 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.6578
• LogD (pH = 7.4): -0.6578
• Log P: -0.6578
• Molar Refractivity: 2.8858 cm^3

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 1604°C
• Density: 4.399
• Refractive Index: 1.67

Safety Information

• European Hazard Symbols: X
• UN Number: UN1564
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22-37
• Safety Statements: 9-28-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A