bis(oxobarium); oxocalcium; trioxotungsten

• ChemBase ID: 151613
• Molecular Formular: Ba2CaO6W
• Molecular Mass: 594.5684
• Monoisotopic Mass: 595.6935037
• SMILES: O=[Ca].O=[Ba].O=[Ba].O=[W](=O)=O
• Canonical SMILES: O=[W](=O)=O.O=[Ca].O=[Ba].O=[Ba]
• InChI: InChI=1S/2Ba.Ca.6O.W
• InChIKey: JLSWGWVIBBXYRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(oxobarium); oxocalcium; trioxotungsten
• IUPAC Traditional name: bis(barium oxide); limestone; tungsten trioxide
• Synonyms: Barium calcium tungsten oxide; 氧化钡钙钨

Database IDs

• CAS Number: 15552-14-4
• EC Number: 233-159-1
• MDL Number: MFCD00171234
• PubChem SID: 162245764; 24865967
• PubChem CID: 71311524

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.0542
• LogD (pH = 7.4): -1.0542
• Log P: -1.0542
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 9.691569 Å^3
• Polar Surface Area: 51.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20/22
• Safety Statements: 28
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: Ba2CaWO6

DETAILS

Sigma Aldrich - 414956

Packaging
25, 100 g in glass bottle