aluminium(3+) ion trihydrate trifluoride

• ChemBase ID: 93629
• Molecular Formular: AlF3O3
• Molecular Mass: 131.9749476
• Monoisotopic Mass: 131.96149215
• SMILES: O.O.O.[AlH3+3].[F-].[F-].[F-]
• Canonical SMILES: O.O.O.[F-].[F-].[F-].[AlH3+3]
• 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: aluminium(3+) ion trihydrate trifluoride
• IUPAC Traditional name: aluminium(3+) trihydrate trifluoride; aluminium(3+) ion trihydrate trifluoride
• Synonyms: Aluminium fluoride trihydrate 97%; Aluminum trifluoride; Aluminum fluoride trihydrate; 三水合氟化铝, 97%

Database IDs

• CAS Number: 15098-87-0
• EC Number: 232-051-1
• MDL Number: MFCD00149141; MFCD00003426
• Merck Index: 14339
• PubChem SID: 162080314
• PubChem CID: 22002992

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 250°C -3H{2}O
• Density: 2.17; 2.88

Safety Information

• Storage Warning: Highly Toxic/Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%