dialuminium(3+) ion octadecahydrate trisulfate

• ChemBase ID: 158741
• Molecular Formular: Al2H42O30S3
• Molecular Mass: 672.473556
• Monoisotopic Mass: 672.0553802
• SMILES: O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• InChI: InChI=1S/2Al.3H2O4S.18H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);18*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;/p-6
• InChIKey: AMVQGJHFDJVOOB-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion octadecahydrate trisulfate
• IUPAC Traditional name: dialuminium(3+) ion octadecahydrate trisulfate
• Synonyms: Aluminum sulfate hydrate, ACS; Aluminum sulfate octadecahydrate; Alum; Aluminum sulfate hydrate; 水合硫酸铝, ACS; 硫酸铝 十八水合物; 水合硫酸铝

Database IDs

• CAS Number: 17927-65-0; 7784-31-8
• EC Number: 233-135-0
• MDL Number: MFCD00149136
• Merck Index: 14366
• PubChem SID: 162252877; 24846984; 24853643
• PubChem CID: 22377415

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: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Density: 1.61
• pH: 2.5-4.0 (20 °C, 2%)

Safety Information

• RTECS: BD1700000; WS5697000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 37/38-41; 41
• Safety Statements: 26-37/39; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H318; H318-H315-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98%; 100-110%; 51.0-59.0% Al2(SO4)3 basis; 97+%; 98.0-102%; 98.0-102.0% (ACS specification)
• Grade: ACS reagent; puriss.
• Suitability: complies for appearance of solution
• Impurities: ≤0.002% heavy metals (as Pb); ≤0.003% ammonium (NH4); ≤0.01% insolubles; ≤0.2% sub.not precip.b.NH4OH(SO4); residual solvents, complies
• Cation Traces: As: ≤3 mg/kg; Ca: 0.01%; Fe: ≤0.002%; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.001%; K: 0.005%; Mg: 0.002%; Na: 0.02%
• Antion Traces: chloride (Cl-): ≤0.005%; chloride (Cl-): ≤50 mg/kg
• Quality: meets analytical specification of Ph. Eur., BP
• Linear Formula: Al2(SO4)3 · 18H2O

DETAILS

Sigma Aldrich - 227617

Packaging
100, 500 g in poly bottle
2.5 kg in poly bottle