aluminium(3+) ion hexahydrate trichloride

• ChemBase ID: 295323
• Molecular Formular: AlCl3O6
• Molecular Mass: 229.336938
• Monoisotopic Mass: 227.85758439
• SMILES: O.O.O.O.O.O.[AlH3+3].[Cl-].[Cl-].[Cl-]
• Canonical SMILES: O.O.O.O.O.O.[AlH3+3].[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3
• InChIKey: JGDITNMASUZKPW-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion hexahydrate trichloride
• IUPAC Traditional name: aluminium(3+) ion hexahydrate trichloride
• Synonyms: Aluminum chloride hexahydrate, Puratronic®; Aluminum chloride hexahydrate; Aluminum chloride hexahydrate, Reagent Grade; 六水合氯化铝, Puratronic®; 六水合氯化铝; 六水合氯化铝,试剂级

Database IDs

• CAS Number: 7784-13-6
• EC Number: 231-208-1
• MDL Number: MFCD00149134
• Merck Index: 14337
• PubChem SID: 180680854
• PubChem CID: 9794789

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

• Solubility: Soluble in water , alcohol, ether, glycerol, propylene glycol
• Apperance: Crystalline; Crystalline Aggregates
• Melting Point: 100°C dec.
• Density: 2.398

Safety Information

• RTECS: BD0530000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45; 26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H303
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 99%; 99.9995% (metals basis)