titanium(4+) ion silicate

• ChemBase ID: 141967
• Molecular Formular: O4SiTi
• Molecular Mass: 139.9501
• Monoisotopic Mass: 139.90453131
• SMILES: [O-][Si]([O-])([O-])[O-].[Ti+4]
• Canonical SMILES: [O-][Si]([O-])([O-])[O-].[Ti+4]
• InChI: InChI=1S/O4Si.Ti/c1-5(2,3)4;/q-4;+4
• InChIKey: CFRNXBBHKHHBQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion silicate
• IUPAC Traditional name: titanium(4+) ion orthosilicate
• Synonyms: Silicon titanate; Silicon titanium oxide; Titanium silicate; Titanium silicon oxide; 氧化钛硅; 硅酸钛; 钛酸硅; 硅氧化钛

Database IDs

• MDL Number: MFCD00799909
• PubChem SID: 162236199; 24883138
• PubChem CID: 11600682

CALCULATED PROPERTIES

• Acid pKa: 9.822076
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.6008205
• LogD (pH = 7.4): -2.6024313
• Log P: -2.6008
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 5.5141354 Å^3
• Polar Surface Area: 92.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: nanopowder
• Density: 3.39 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: nwg
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.8% trace metals basis
• Particle Size: <50 nm (BET)
• Linear Formula: (SiO2)(TiO2)

DETAILS

Sigma Aldrich - 641731

Other Notes
Amorphous mixture of SiO2 and TiO2.
Packaging
10, 50 g in glass bottle