trifluoroalumane trihydrate

• ChemBase ID: 158512
• Molecular Formular: AlF3H6O3
• Molecular Mass: 138.0225876
• Monoisotopic Mass: 138.00844234
• SMILES: O.O.O.F[Al](F)F
• Canonical SMILES: F[Al](F)F.O.O.O
• InChI: InChI=1S/Al.3FH.3H2O/h;3*1H;3*1H2/q+3;;;;;;/p-3
• InChIKey: BKLZIAYVINRQEJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroalumane trihydrate
• IUPAC Traditional name: aluminium fluoride trihydrate
• Synonyms: Aluminum fluoride trihydrate; 氟化铝 三水合物

Database IDs

• CAS Number: 15098-87-0
• EC Number: 232-051-1
• MDL Number: MFCD00149141
• PubChem SID: 162252648; 24845137; 24854137
• PubChem CID: 16211015

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.7775
• LogD (pH = 7.4): 0.7775
• Log P: 0.7775
• Molar Refractivity: 4.5039 cm^3
• Polarizability: 3.3652868 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 2.88 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0%; 97%
• Grade: purum
• Cation Traces: Fe: ≤100 mg/kg
• Antion Traces: sulfate (SO42-): ≤200 mg/kg
• Linear Formula: AlF3·3H2O

DETAILS

Sigma Aldrich - 236098

Packaging
100, 500 g in poly bottle