aluminium(3+) ion triammonium hexafluoride

• ChemBase ID: 295622
• Molecular Formular: AlF6N3
• Molecular Mass: 182.9920572
• Monoisotopic Mass: 182.98117997
• SMILES: [NH4+].[NH4+].[NH4+].[F-].[F-].[F-].[F-].[F-].[F-].[AlH3+3]
• Canonical SMILES: [NH4+].[NH4+].[NH4+].[F-].[F-].[F-].[F-].[F-].[F-].[AlH3+3]
• InChI: InChI=1S/Al.6FH.3H3N/h;6*1H;3*1H3/q+3;;;;;;;;;/p-3
• InChIKey: OYHBNKHFKHBTRQ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion triammonium hexafluoride
• IUPAC Traditional name: aluminium(3+) ion triammonium hexafluoride
• Synonyms: Ammonium hexafluoroaluminate; 六氟铝酸铵

Database IDs

• CAS Number: 7784-19-2
• EC Number: 232-052-7
• MDL Number: MFCD00042144
• Merck Index: 14524
• PubChem SID: 180681153
• PubChem CID: 73995055

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 16.3149 cm^3
• Polarizability: 2.1934314 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Freely soluble in water
• Apperance: -80 Mesh Powder
• Density: 1.78

Safety Information

• RTECS: BD0050000
• European Hazard Symbols: Toxic (T)
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/24/25
• Safety Statements: 26-28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H331
• GHS Precautionary statements: P261-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 98%; 99.8% (metals basis)