titanium(4+) ion dioxidandiide

• ChemBase ID: 302767
• Molecular Formular: O2Ti
• Molecular Mass: 79.8658
• Monoisotopic Mass: 79.93777554
• SMILES: [O-2].[O-2].[Ti+4]
• Canonical SMILES: [O-2].[O-2].[Ti+4]
• InChI: InChI=1S/2O.Ti/q2*-2;+4
• InChIKey: SOQBVABWOPYFQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion dioxidandiide
• IUPAC Traditional name: titanium(4+) ion dioxidandiide
• Synonyms: Titanium(IV) oxide, rutile, single crystal; Titanium(IV) oxide, anatase; Titanium(IV) oxide, rutile; Titanium(IV) oxide, Puratronic®; Titanic oxide; Titanium(IV) oxide, high surface area; Titanium(IV) oxide, naturally occurring mineral, grains, approximately 0.06-0.19in; 二氧化钛(IV), 金红石, 单晶; 二氧化钛(IV), 锐钛矿; 二氧化钛(IV),金红石; 二氧化钛(IV), Puratronic®; 二氧化钛(IV),高比表面积; 二氧化钛(IV), 金红石; 氧化钛(IV), 天然矿物, 晶粒, 大约 0.06-0.19in

Database IDs

• CAS Number: 13463-67-7; 1317-80-2; 1317-70-0
• EC Number: 215-282-2; 236-675-5; 215-280-1
• MDL Number: MFCD00011269
• Merck Index: 149472

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water, HCl, HNO3, dilute H2SO4; soluble in hot, conc. H2SO4, HF, and alkalies
• Apperance: 0.5mm thick x 10mm x 10mm; 0.9-1.6 Micron APS Powder, S.A. 3.3-6.1 m2/g; 1.0-2.0 Micron APS Powder; -22 Mesh Powder; 32 nm APS Powder, S.A. 45m2/g; -325 Mesh Powder; -325 Mesh Powder, S.A. 180-300 m2/g; 3-6mm Sintered Pieces; Grains; White powder
• Melting Point: 1830-1850°C
• Boiling Point: 2500-3000°C
• Density: 3.9; 4.23; 4.26
• Refractive Index: 2.61

Safety Information

• RTECS: BV6550000; XR2275000
• European Hazard Symbols: X
• Risk Statements: 40
• Safety Statements: 36/37; 36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Hazard statements: H351
• GHS Precautionary statements: P281-P201-P202-P308+P313-P405-P501A

Product Information

• Purity: 99.5% min (metals basis); 99.6% (metals basis); 99.8% (metals basis); 99.9% (metals basis); 99.99% (metals basis); 99.995% (metals basis)