tetramethoxytitanium

• ChemBase ID: 139928
• Molecular Formular: C4H12O4Ti
• Molecular Mass: 172.00268
• Monoisotopic Mass: 172.02150516
• SMILES: CO[Ti](OC)(OC)OC
• Canonical SMILES: CO[Ti](OC)(OC)OC
• InChI: InChI=1S/4CH3O.Ti/c4*1-2;/h4*1H3;/q4*-1;+4
• InChIKey: ITNVWQNWHXEMNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethoxytitanium
• IUPAC Traditional name: tetramethoxytitanium
• Synonyms: Titanium(IV) methoxide; 四甲醇钛(IV)

Database IDs

• CAS Number: 992-92-7
• EC Number: 213-596-4
• MDL Number: MFCD00014883
• PubChem SID: 24870081; 162234175; 24865283
• PubChem CID: 5080336

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7668
• LogD (pH = 7.4): 0.7668
• Log P: 0.7668
• Molar Refractivity: 28.1876 cm^3
• Polarizability: 14.563019 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; solid
• Melting Point: 200-210 °C(lit.)
• Flash Point: 14 °C; 57.2 °F

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-21/22-37/38-41
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H302-H312-H315-H318-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: ≥99.99% trace metals basis; 95%
• Impurities: <5% methanol
• Linear Formula: Ti(OCH3)4

DETAILS

Sigma Aldrich - 404950

Features and Benefits
Used for the preparation of polyoxotitanates.1
Packaging
10, 50 g in glass bottle

Sigma Aldrich - 463582

Features and Benefits
Used for the preparation of polyoxotitanates.1
General description
Atomic number of base material: 22 Titanium
Packaging
25 g in glass bottle