pentamethoxytantalum

• ChemBase ID: 146691
• Molecular Formular: C5H15O5Ta
• Molecular Mass: 336.1175
• Monoisotopic Mass: 336.03994358
• SMILES: CO[Ta](OC)(OC)(OC)OC
• Canonical SMILES: CO[Ta](OC)(OC)(OC)OC
• InChI: InChI=1S/5CH3O.Ta/c5*1-2;/h5*1H3;/q5*-1;+5
• InChIKey: QASMZJKUEABJNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentamethoxytantalum
• IUPAC Traditional name: pentamethoxytantalum
• Synonyms: Tantalum(V) methoxide; 甲醇钽(V)

Database IDs

• CAS Number: 865-35-0
• MDL Number: MFCD00058817
• Beilstein Number: 3675458
• PubChem SID: 24863946; 162240883
• PubChem CID: 517387

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.9585
• LogD (pH = 7.4): 0.9585
• Log P: 0.9585
• Molar Refractivity: 35.2345 cm^3
• Polarizability: 21.647816 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

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: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-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

• Impurities: ≤2% Cl
• Linear Formula: Ta(OCH3)5

DETAILS

Sigma Aldrich - 383244

Packaging
5 g in glass bottle