aluminium(3+) ion ammonium disulfate

• ChemBase ID: 125811
• Molecular Formular: AlH7NO8S2
• Molecular Mass: 240.169018
• Monoisotopic Mass: 239.94284682
• SMILES: [AlH3+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].[AlH3+3]
• InChI: InChI=1S/Al.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3
• InChIKey: LCQXXBOSCBRNNT-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion ammonium disulfate
• IUPAC Traditional name: aluminium(3+) ion ammonium disulfate
• Synonyms: Aluminum ammonium sulfate dodecahydrate, Reagent Grade; Ammonium alum; Tschermigite; Ammonium aluminium sulfate; 十二水硫酸铵铝, 试剂级

Database IDs

• CAS Number: 7784-25-0; 7784-26-1
• EC Number: 232-055-3
• MDL Number: MFCD00051042
• Merck Index: 14327
• PubChem SID: 162220158
• PubChem CID: 3032540
• Chemspider ID: 2297489
• Wikipedia Title: Ammonium_aluminium_sulfate

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 15 g/100 ml (20 °C, dodecahydrate) in water; Soluble in water, glycerol. Insoluble in alcohol
• Apperance: Crystalline; white crystals
• Melting Point: 93.5 °C (dodecahydrate); 93-94°C
• Boiling Point: 120 °C dehydr. (dodecahydrate)
• Flash Point: non-flammable
• Density: 1.65; 2.45 g/cm^3 (anhydrous); 1.64 g/cm^3 (dodecahydrate)

Safety Information

• RTECS: WS5640010
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• EU Index: not listed
• GHS Pictograms: GHS07; : Skin Irrit. 2; Eye Irrit. 2
• GHS Signal Word: WARNING
• GHS Hazard statements: 315, 319; H315-H319-H335
• GHS Precautionary statements: 264, 280, 302+352, 305+351+338, 321, 332+313, 337+313, 362; P261-P305+P351+P338-P302+P352-P321-P405-P501A