titanium(4+) ion sulfuric acid dihydrate oxidandiide sulfate

• ChemBase ID: 303430
• Molecular Formular: H6O11S2Ti
• Molecular Mass: 294.03804
• Monoisotopic Mass: 293.88309931
• SMILES: O.O.[O-2].OS(=O)(=O)O.[O-]S(=O)(=O)[O-].[Ti+4]
• Canonical SMILES: OS(=O)(=O)O.[O-]S(=O)(=O)[O-].O.O.[O-2].[Ti+4]
• InChI: InChI=1S/2H2O4S.2H2O.O.Ti/c2*1-5(2,3)4;;;;/h2*(H2,1,2,3,4);2*1H2;;/q;;;;-2;+4/p-2
• InChIKey: MVSQUPKSTWUOAW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion sulfuric acid dihydrate oxidandiide sulfate
• IUPAC Traditional name: titanium(4+) ion sulfuric acid dihydrate oxidandiide sulfate
• Synonyms: Titanyl sulfate; Titanium(IV) oxysulfate-sulfuric acid; Titanium(IV) oxide sulfate sulfuric acid hydrate; 硫酸氧化钛(IV)硫酸水合物

Database IDs

• CAS Number: 13825-74-6
• EC Number: 237-523-0
• MDL Number: MFCD00011270
• Merck Index: 149475

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -10 Mesh Powder

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 35
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A