oxo(propan-2-yloxy)yttrium; tetrakis(tris(propan-2-yloxy)yttrium)

• ChemBase ID: 148789
• Molecular Formular: C39H91O14Y5
• Molecular Mass: 1228.66069
• Monoisotopic Mass: 1228.17012259
• SMILES: CC(C)O[Y]=O.CC(C)O[Y](OC(C)C)OC(C)C.CC(C)O[Y](OC(C)C)OC(C)C.CC(C)O[Y](OC(C)C)OC(C)C.CC(C)O[Y](OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Y](OC(C)C)OC(C)C)C.CC(O[Y](OC(C)C)OC(C)C)C.CC(O[Y](OC(C)C)OC(C)C)C.CC(O[Y](OC(C)C)OC(C)C)C.CC(O[Y]=O)C
• InChI: InChI=1S/13C3H7O.O.5Y/c13*1-3(2)4;;;;;;/h13*3H,1-2H3;;;;;;/q13*-1;;+1;4*+3
• InChIKey: QUIINUCCTZSPAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxo(propan-2-yloxy)yttrium; tetrakis(tris(propan-2-yloxy)yttrium)
• IUPAC Traditional name: isopropoxy(oxo)yttrium; tetrakis(triisopropoxyyttrium)
• Synonyms: Yttrium isopropoxide oxide; 异丙醇氧钇

Database IDs

• CAS Number: 118458-20-1
• MDL Number: MFCD00134499

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8419
• LogD (pH = 7.4): 2.8419
• Log P: 2.8419
• Molar Refractivity: 48.6429 cm^3
• Polarizability: 23.784815 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 26
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Flash Point: 12 °C; 53.6 °F

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, 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 2925 4.1/PG 2

Product Information

• Linear Formula: OY5(OCH(CH3)2)13

DETAILS

Sigma Aldrich - 379425

Packaging
5 g in ampule