tris(oxo[(oxoalumanyl)oxy]alumane); bis(silanedione)

• ChemBase ID: 146615
• Molecular Formular: Al6H6O13Si2
• Molecular Mass: 432.100068
• Monoisotopic Mass: 431.8239251
• SMILES: O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[Si]=O.O=[Si]=O
• Canonical SMILES: O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[AlH]O[AlH]=O.O=[Si]=O.O=[Si]=O
• InChI: InChI=1S/6Al.2O2Si.9O/c;;;;;;2*1-3-2
• InChIKey: KZHJGOXRZJKJNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(oxo[(oxoalumanyl)oxy]alumane); bis(silanedione)
• IUPAC Traditional name: tris(aluminium oxide); bis(silica)
• Synonyms: Aluminosilicate; Mullite; Aluminum silicate; 莫来石; 硅酸铝

Database IDs

• CAS Number: 37287-16-4; 142844-00-6
• EC Number: 215-113-2
• MDL Number: MFCD00058866
• PubChem SID: 162240809; 24874094; 24845917
• PubChem CID: 12880061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4684
• LogD (pH = 7.4): 2.4684
• Log P: 2.4684
• Molar Refractivity: 4.236 cm^3
• Polarizability: 6.522983 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: fibers (may contain particles); powder

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 49
• Safety Statements: 53-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H350i
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: for Gooch crucibles
• Impurities: asbestos, none detected
• Quality: washed
• Linear Formula: 3Al2O3 · 2SiO2

DETAILS

Sigma Aldrich - 520179

Packaging
250 g in glass bottle

Sigma Aldrich - 06416

Analysis Note
classification-temperature: 1260°C (the classification-temperature has been detected by irreversible, linear change, not by melting point)