trifluoroalumane

• ChemBase ID: 125749
• Molecular Formular: AlF3
• Molecular Mass: 83.9767476
• Monoisotopic Mass: 83.97674829
• SMILES: F[Al](F)F
• Canonical SMILES: F[Al](F)F
• InChI: InChI=1S/Al.3FH/h;3*1H/q+3;;;/p-3
• InChIKey: KLZUFWVZNOTSEM-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroalumane
• IUPAC Traditional name: aluminium fluoride
• Synonyms: Aluminium monofluoride; Aluminium(III) fluoride; Aluminum trifluoride; Aluminium fluoride; Trifluoroaluminum; Aluminum fluoride; 氟化铝

Database IDs

• CAS Number: 7784-18-1; 13595-82-9
• EC Number: 232-051-1
• MDL Number: MFCD00003426
• PubChem SID: 162220097; 24868496; 24860089
• PubChem CID: 2124
• CHEBI ID: 49464
• Chemspider ID: 2039
• Wikipedia Title: Aluminium_monofluoride; Aluminium_fluoride

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

• Solubility: 0.56 g/100 mL (0 °C) ; 0.67 g/100 mL (20 °C) ; 1.72 g/100 mL (100 °C) in water
• Apperance: powder; white, crystalline solid; odorless
• Melting Point: 1290 °C(lit.); 1291 °C (anhydrous); 1291 °C(lit.)
• Density: 2.88 g/cm^3 (anhydrous) ; 2.1 g/cm^3 (monohydrate) ; 1.914 g/cm^3 (trihydrate); 3.1 g/mL at 25 °C(lit.)

Safety Information

• RTECS: BD0725000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: -; 22-36/37/38
• Safety Statements: -; 26; R
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  0

  0
• 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: ≥99.9% trace metals basis
• Grade: anhydrous; reagent grade
• Linear Formula: AlF3

DETAILS

Sigma Aldrich - 449628

Packaging
10, 50 g in glass bottle
Application
Used extensively in the preparation of doped fluoride glasses1,2,3,4 and in a mixed-metal fluoride catalyst for synthesis of HFC-134a.5

Sigma Aldrich - 332917

Packaging
10, 100 g in poly bottle