tris(sulfuric acid) dialumane octahydrate

• ChemBase ID: 105572
• Molecular Formular: Al2H28O20S3
• Molecular Mass: 498.368396
• Monoisotopic Mass: 497.99668356
• SMILES: O.O.O.O.O.O.O.O.[AlH3].[AlH3].OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.O.O.O.O.O.O.O.O.[AlH3].[AlH3]
• InChI: InChI=1S/2Al.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2
• InChIKey: JANHUGNIVASISO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(sulfuric acid) dialumane octahydrate
• IUPAC Traditional name: tris(sulfuric acid) dialuminium octahydrate
• Synonyms: Alum; Aluminum Trisulfate; Cake Alum; ALUMINUM SULFATE HYDRATE ACS REAGENT GRADE

Database IDs

• CAS Number: 16828-11-8
• EC Number: 233-135-0
• PubChem SID: 162092558
• PubChem CID: 6336629

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: WS5696000
• European Hazard Symbols: Flammable (F)
• UN Number: 3077
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:15-17
• Safety Statements: S:7/8
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171

Product Information

• Purity: 98.0-102.0%
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02191403

ACS Reagent grade
Assay: 98.0-102.0%
Crystalline