dialuminium(3+) ion hydrate trisulfate

• ChemBase ID: 130838
• Molecular Formular: Al2H8O13S3
• Molecular Mass: 366.213796
• Monoisotopic Mass: 365.87578058
• SMILES: O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[AlH3+3].[AlH3+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
• InChIKey: BUACSMWVFUNQET-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion hydrate trisulfate
• IUPAC Traditional name: dialuminium(3+) ion hydrate trisulfate
• Synonyms: Aluminum sulfate; Aluminum sulfate hydrate; 水合硫酸铝 水合物; 铝 硫酸酯; 水合硫酸铝 水合物

Database IDs

• CAS Number: 17927-65-0
• EC Number: 233-135-0
• MDL Number: MFCD00149138
• PubChem SID: 24862907; 24890194; 24868238; 162225116
• PubChem CID: 3080712

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

• Apperance: powder and chunks
• Density: 1.69 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 41
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0%; 98%; 99.998% trace metals basis
• Compostion: Degree of hydration, 14-18; water, 14-18 mol/mol
• Suitability: meets USP testing specifications
• Linear Formula: Al2(SO4)3 · xH2O

DETAILS

Sigma Aldrich - 450308

Packaging
5 g in poly bottle

Sigma Aldrich - 368458

Packaging
2.5 kg in poly bottle
500 g in poly bottle