digallium(3+) ion hydrate trisulfate

• ChemBase ID: 146051
• Molecular Formular: Ga2H8O13S3
• Molecular Mass: 451.69672
• Monoisotopic Mass: 449.76384932
• SMILES: O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[GaH3+3].[GaH3+3]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.[GaH3+3].[GaH3+3]
• InChI: InChI=1S/2Ga.3H2O4S.H2O/c;;3*1-5(2,3)4;/h;;3*(H2,1,2,3,4);1H2/q2*+3;;;;/p-6
• InChIKey: CMNGAUGWXGMLDK-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: digallium(3+) ion hydrate trisulfate
• IUPAC Traditional name: digallium(3+) ion hydrate trisulfate
• Synonyms: Gallium(III) sulfate hydrate; Gallium(III) sulfate hydrate, Puratronic®; 硫酸镓 水合物; 硫酸镓水合物, Puratronic®

Database IDs

• CAS Number: 13780-42-2
• EC Number: 236-816-0
• MDL Number: MFCD00149725
• PubChem SID: 162240250; 24870113
• PubChem CID: 16213072

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: Crystalline Aggregates; solid
• Melting Point: 105-110 °C(lit.); 105-110°C
• Density: 3.86 g/mL at 25 °C(lit.); 3.860

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• 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; 99.999% (metals basis)
• Linear Formula: Ga2(SO4)3 · xH2O

DETAILS

Sigma Aldrich - 463892

Packaging
25 g in poly bottle
5 g in glass bottle