dialuminium(3+) ion trisulfate

• ChemBase ID: 125759
• Molecular Formular: Al2H6O12S3
• Molecular Mass: 348.198516
• Monoisotopic Mass: 347.86521589
• SMILES: [AlH3+3].[AlH3+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[AlH3+3].[AlH3+3]
• InChI: InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
• InChIKey: DIZPMCHEQGEION-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion trisulfate
• IUPAC Traditional name: dialuminium(3+) ion trisulfate
• Synonyms: Cake alum; Filter alum; Papermaker's alum; Alunogenite; aluminum salt (3:2); Aluminium sulfate; Aluminum sulfate; Aluminum sulfate, anhydrous; Aluminum sulfate hydrate, Puratronic®; 硫酸铝; 无水硫酸铝; 水合硫酸铝, Puratronic®

Database IDs

• CAS Number: 17927-65-0; 10043-01-3
• EC Number: 233-135-0
• MDL Number: MFCD00003423; MFCD00149136
• Merck Index: 14366
• PubChem SID: 24852105; 162220107
• PubChem CID: 24850
• Chemspider ID: 23233
• Unique Ingredient Identifier: I7T908772F
• Wikipedia Title: 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: 31.2 g/100 mL (0 °C) ; 36.4 g/100 mL (20 °C) ; 89.0 g/100 mL (100 °C) in water; slightly soluble in alcohol, dilute mineral acids
• Apperance: Crystalline; powder and chunks; Powder, Packaged under argon; white crystalline solid ; hygroscopic
• Melting Point: 770 °C (dec.)(lit.); 770 °C (decomp, anhydrous) ; 86.5 °C (octadecahydrate); 770°C
• Density: 1.61; 2.672 g/cm^3 (anhydrous) ; 1.62 g/cm^3 (octadecahydrate); 2.71; 2.71 g/mL at 25 °C(lit.)
• Refractive Index: 1.47
• pKa: 3.3-3.6

Safety Information

• Storage Warning: Hygroscopic
• RTECS: BD1700000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 37/38-41; 37/38-41-52
• Safety Statements: 26-37/39; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H315-H318-H335-H411; H318-H315-H335
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.99% (metals basis); 99.99% trace metals basis; 99.999% (metals basis)
• Linear Formula: Al2(SO4)3

DETAILS

Sigma Aldrich - 202614

Packaging
5, 25, 100 g in poly bottle