trifluoroalumane hydrate

• ChemBase ID: 138846
• Molecular Formular: AlF3H2O
• Molecular Mass: 101.9920276
• Monoisotopic Mass: 101.98731297
• SMILES: O.F[Al](F)F
• Canonical SMILES: F[Al](F)F.O
• InChI: InChI=1S/Al.3FH.H2O/h;3*1H;1H2/q+3;;;;/p-3
• InChIKey: XTXFDUABTPNTFB-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 32287-65-3
• MDL Number: MFCD00149142
• PubChem SID: 162233097; 24852102
• PubChem CID: 16211462

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

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3288
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3288 6.1/PG 3

Product Information

• Purity: ≥99.99%
• Linear Formula: AlF3·xH2O