diyttrium(3+) ion octahydrate trisulfate

• ChemBase ID: 138717
• Molecular Formular: H16O20S3Y2
• Molecular Mass: 610.12174
• Monoisotopic Mass: 609.75140191
• SMILES: O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Y+3].[Y+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.[Y+3].[Y+3]
• InChI: InChI=1S/3H2O4S.8H2O.2Y/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6
• InChIKey: OMBXBIHFXZAMLA-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: diyttrium(3+) ion octahydrate trisulfate
• IUPAC Traditional name: diyttrium(3+) ion octahydrate trisulfate
• Synonyms: Yttrium(III) sulfate octahydrate; Yttrium(III) sulfate octahydrate, REacton®; Yttrium(III) sulfate hydrate, REacton®; 硫酸钇(III) 八水合物; 硫酸钇(III)八水合物, REacton®; 硫酸钇(III)水合物, REacton®

Database IDs

• CAS Number: 7446-33-5
• EC Number: 236-844-3
• MDL Number: MFCD00149946; MFCD00011472
• Merck Index: 1410107
• PubChem SID: 24859559; 162232968
• PubChem CID: 165608

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

• Solubility: Water solubility decreases with increasing temperature
• Apperance: Crystalline; powder
• Density: 2.5 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37/39; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-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: 99.9% (REO); 99.9% trace metals basis; 99.99% (REO); 99.999%
• Linear Formula: Y2(SO4)3 · 8H2O

DETAILS

Sigma Aldrich - 326070

Packaging
50 g in glass bottle