dioxotitanium

• ChemBase ID: 129924
• Molecular Formular: O2Ti
• Molecular Mass: 79.8658
• Monoisotopic Mass: 79.93777554
• SMILES: O=[Ti]=O
• Canonical SMILES: O=[Ti]=O
• InChI: InChI=1S/2O.Ti
• InChIKey: GWEVSGVZZGPLCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxotitanium
• IUPAC Traditional name: titanium dioxide
• Synonyms: Aeroxide® P25; Titanium dioxide; Titanium(IV) oxide, mixture of rutile and anatase; Titanium(IV) oxide, anatase; Titania; Rutile; Anatase; Brookite; Titanium dioxide; Titanium(IV) oxide; Titanium(IV) oxide, rutile; Titanium dioxide, extremely fine-crystalline; Hombikat; Titanii dioxidum; 氧化钛(IV)，金红石和锐钛矿混合物; 二氧化钛; 氧化钛(IV)，锐钛矿; 钛白; 氧化钛(IV); 氧化钛(IV)，金红石; 二氧化钛，超细晶; 氧化钛

Database IDs

• CAS Number: 1317-70-0; 13463-67-7; 1317-80-2
• EC Number: 236-675-5; 215-280-1; 215-282-2
• MDL Number: MFCD00011269
• PubChem SID: 24848462; 24853422; 24882709; 24882641; 24854937; 24853872; 24882841; 24882842; 24885378; 24852290; 24878041; 24882711; 24848458; 162224210; 24882710; 24852292
• PubChem CID: 26042
• CHEBI ID: 32234
• CHEMBL: 1201136
• Chemspider ID: 24256
• KEGG ID: C13409
• Unique Ingredient Identifier: 15FIX9V2JP
• Wikipedia Title: Titanium_dioxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7028
• LogD (pH = 7.4): -0.7028
• Log P: -0.7028
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 4.3515534 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: (single crystal substrate); (single side polished); dispersion; nanoparticles; nanopowder; paste; powder; powder and chunks; single crystal substrate; single side polished; White solid
• Melting Point: >350 °C(lit.); 1825 °C(lit.); 1840 °C; 1843 °C; 1850 °C
• Boiling Point: >135 °C; >200 °C; 100 °C; 2972 °C
• Flash Point: >100 °C; >212 °F; 27 °C; 80.6 °F; Non-flammable
• Density: 1.2 g/mL±0.05 at 25 °C; 1.3 g/mL±0.2 at 25 °C; 1.8 g/mL±0.2 at 25 °C; 3.9 g/mL at 25 °C(lit.); 4.17 g/mL at 25 °C(lit.); 4.23 g/cm^3; 4.26 g/mL at 25 °C; 4.26 g/mL at 25 °C(lit.)
• Refractive Index: 2.488 (anatase) ; 2.583 (brookite) ; 2.609 (rutile)
• Viscosity: <1.5 mPa.s
• Odor: odorless
• Std enthalpy of formation: -945 kJ·mol^-1
• Std molar entropy: 50 J·mol^-1·K^-1
• pH: 3.0-5.0 (4% in H2O, suspension)
• Transmittance: 0.5-4.5 μm
• Semiconductor Properties: <001>; <100>; <110>

Safety Information

• RTECS: BV6550000; VM2940000; XR2275000; XR2775000
• European Hazard Symbols: Corrosive (C); Irritant (Xi); Harmful (Xn)
• UN Number: 1307
• German water hazard class: 1; 2; 3; nwg
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-20/21-34; 20-36/37/38; 22-36; 36; 40
• Safety Statements: 26; 26-36; 26-36/37/39-45; 36/37
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H226-H312 + H332-H314; H302-H319; H315-H319-H332-H335; H351
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305 + P351 + P338-P310; P281; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1307 3/PG 3

Product Information

• Purity: ≥97%; ≥98.0%; ≥99%; ≥99% trace metals basis; ≥99.0%; ≥99.5% trace metals basis; ≥99.9% trace metals basis; 98.0-100.5%; 99.0-100.5% (calc. on dry substance); 99.5% trace metals basis; 99.7% trace metals basis; 99.8% trace metals basis; 99.9% trace metals basis; 99.99% trace metals basis; 99.995% trace metals basis; 99-100.5%
• Concentration: 33-37 wt. % in H2O; 43-47 wt. % in xylene; 53-57 wt. % in diethylene glycol monobutyl ether/ethylene glycol
• Grade: catalyst grade (for rearrangement reactions); JIS special grade; optical grade; Ph Eur; puriss.; ReagentPlus®; SAJ first grade
• Particle Size: ~1 μm; ~15 nm (primary particle size of starting nanopowder); ~21 nm (primary particle size of starting nanopowder); <100 nm; <100 nm (BET); <100 nm (DLS); <150 nm (DLS); <25 nm; <250 nm (DLS); <5 μm; <50 nm (XRD); 21 nm (TEM); -325 mesh
• Compostion: anatase; rutile, ~90%
• Suitability: complies for appearance of solution
• Description: single side polished
• Impurities: ≤0.002% heavy metals (as Pb); ≤0.25% water-soluble matter; ≤0.5% in acid (HCl 0,5 mol/l) sol. matter; ≤0.5% water-soluble matter(hot); acidity or alkalinity, complies; residual solvents, complies
• Cation Traces: As: ≤1 mg/kg; As: ≤5 mg/kg; Ba:, in accordance; Fe: ≤50 mg/kg; Pb: ≤20 mg/kg; Pb: ≤50 mg/kg; Sb: ≤50 mg/kg
• Contains: 1% Mn as dopant
• Surface Area: >14.0 m2/g; 35-65 m2/g; 35-65 m2/g (BET); BET surf. area 50 m2/g±18 (BET surface area of starting nanopowder); BET surf. area 90 m2/g±25 (BET surface area of starting nanopowder); spec. surface area 130-190 m2/g; spec. surface area 45-55 m2/g
• Loss on Drying: ≤0.5% loss on drying, 105 °C, 3h; ≤0.5% loss on ignition, 1000 °C, 2 h; ≤0.5% loss on ignition, 800 °C; ≤3% loss on drying
• Quality: meets analytical specification of Ph. Eur., BP, USP
• Bulk Density: 0.04-0.06 g/mL; 0.06-0.10 g/mL
• Hardness: 7 mohs
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• L × W × Thickness: 10 mm × 10 mm × 0.5 mm
• diam. × L: ~10 nm × 40 nm
• Linear Formula: TiO2

DETAILS

Sigma Aldrich - 248576

Packaging
1 kg in poly bottle
10 kg in poly drum
100 g in poly bottle
Application
Phase-pure anatase is employed in the solid state synthesis of the mixed oxide NaTiO2 which has been considered as a possible antiferromagnetic material.1

Sigma Aldrich - 635049

Application
Superior substrate for the deposition characteristics of thin copper foils.1
Features and Benefits
Possesses improved photocatalytic activity.2
Packaging
1 ea in rigid mailer
Physical form
tetragonal (a = 4.5936 Å, c = 2.9582 Å)
Physical properties
Specific heat capacity: 0.17 (25°C) Cal. / (g. Deg); Linear expansion coefficient: a: 7.14 x 10-6, c: 9.19 x 10-6; Thermal optical coefficient: dη/dT: a: -0.72 x 10-6/K, c: -0.42 x 10-6/K

Sigma Aldrich - 677469

Packaging
5 g in glass bottle

Sigma Aldrich - 637254

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
50, 100, 500 g in glass bottle

Sigma Aldrich - 700355

General description
Crystal phase: anatase/rutile ca. 80:20.
Packaging
25 g in glass bottle
Legal Information
Product of Buhler, Inc.

Sigma Aldrich - 700347

General description
Crystal phase: anatase/rutile (ca. 80:20)
Packaging
25, 100 g in glass bottle
Legal Information
Product of Buhler, Inc.

Sigma Aldrich - 224227

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Features and Benefits
Possesses improved photocatalytic activity.1
Other Notes
Contains small amount of anatase
Packaging
100, 500 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 700339

General description
Crystal phase: anatase/rutile mixture (ca. 80:20)
Packaging
100 g in glass bottle
Legal Information
Product of Buhler, Inc.

Sigma Aldrich - 635057

Features and Benefits
Possesses improved photocatalytic activity.1
Packaging
1 ea in rigid mailer
Physical form
tetragonal (a = 4.5936 Å, c = 2.9582 Å)
Physical properties
Specific heat capacity: 0.17 (25°C) Cal. / (g. Deg); Linear expansion coefficient: a: 7.14 x 10-6, c: 9.19 x 10-6; Thermal optical coefficient: dη/dT: a: -0.72 x 10-6/K, c: -0.42 x 10-6/K

Sigma Aldrich - 204730

Features and Benefits
Possesses improved photocatalytic activity.1
Packaging
5, 25 g in poly bottle

Sigma Aldrich - 634662

Application
Photoelectrodes of varying properties can be made using colloidal suspensions of titanium(IV) oxide nanoparticles.1
Packaging
25, 100 g in poly bottle

Sigma Aldrich - 637262

Features and Benefits
Possesses improved photocatalytic activity.1
Other Notes
May contain up to 5 wt. % Silicon dioxide as a surface coating.Contains small amount of anatase.
Packaging
25, 100 g in glass bottle
500 g in poly drum

Sigma Aldrich - 53450

Packaging
250 g in poly bottle

Sigma Aldrich - 635065

Features and Benefits
Possesses improved photocatalytic activity.1
Packaging
1 ea in rigid mailer
Physical form
tetragonal (a = 4.5936 Å, c = 2.9582 Å)
Physical properties
Specific heat capacity: 0.17 (25°C) Cal. / (g. Deg); Linear expansion coefficient: a: 7.14 x 10-6, c: 9.19 x 10-6; Thermal optical coefficient: dη/dT: a: -0.72 x 10-6/K, c: -0.42 x 10-6/K

Sigma Aldrich - 718467

Packaging
100 g in glass bottle
Legal Information
Aeroxide is a registered trademark of Evonik Degussa GmbH

Sigma Aldrich - 232033

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
100, 500 g in poly bottle

Sigma Aldrich - 14021

Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 204757

Features and Benefits
Possesses improved photocatalytic activity.1
Other Notes
Some anatase present
Packaging
25, 125 g in poly bottle