aluminium(3+) ion caesium(1+) ion dodecahydrate disulfate

• ChemBase ID: 148466
• Molecular Formular: AlCsH27O20S2
• Molecular Mass: 571.219368
• Monoisotopic Mass: 570.94069989
• SMILES: O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[AlH3+3].[Cs+]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.[AlH3+3].[Cs+]
• InChI: InChI=1S/Al.Cs.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;;2*(H2,1,2,3,4);12*1H2/q+3;+1;;;;;;;;;;;;;;/p-4
• InChIKey: VHUJINUACVEASK-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion caesium(1+) ion dodecahydrate disulfate
• IUPAC Traditional name: aluminium(3+) ion caesium(1+) ion dodecahydrate disulfate
• Synonyms: Cesium alum; Aluminum cesium sulfate dodecahydrate; 铯矾; 硫酸铝铯 十二水合物

Database IDs

• CAS Number: 7784-17-0
• EC Number: 238-184-1
• PubChem SID: 24873973; 162242641
• PubChem CID: 20350998

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
• Melting Point: 110 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.99% trace metals basis
• Linear Formula: AlCs(SO4)2·12H2O

DETAILS

Sigma Aldrich - 517771

Packaging
50 g in poly bottle