tris(propan-2-yloxy)yttrium

• ChemBase ID: 140823
• Molecular Formular: C9H21O3Y
• Molecular Mass: 266.16709
• Monoisotopic Mass: 266.05491753
• SMILES: CC(C)O[Y](OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Y](OC(C)C)OC(C)C)C
• InChI: InChI=1S/3C3H7O.Y/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: PYLIDHFYDYRZSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yloxy)yttrium
• IUPAC Traditional name: triisopropoxyyttrium
• Synonyms: Isopropyl alcohol yttrium(III) salt; 2-Propanol yttrium(III) salt; Tris(isopropoxy) yttrium(III); Yttrium(III) tris(isopropoxide); Yttrium(III) isopropoxide solution; 2-丙醇 钇(III) 盐; 异丙醇钇(III); 异丙醇钇; 异丙醇钇(III) 溶液

Database IDs

• CAS Number: 2172-12-5
• MDL Number: MFCD00015641
• PubChem SID: 162235063; 24863732
• PubChem CID: 10901528

CALCULATED PROPERTIES

• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Physical Property

• Apperance: solid
• Boiling Point: 106 °C
• Flash Point: 39.2 °F; 4 °C
• Density: 0.955 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi); Harmful (Xn)
• UN Number: 1325; 2924
• German water hazard class: 3
• Hazard Class: 3; 4.1
• Packing Group: 2; 3
• Risk Statements: 11-36/37/38; 63-11-36/37/38-48/20-65-67
• Safety Statements: 16-26-36; 16-26-36/37-62
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H304-H315-H319-H335 + H336-H361d-H373; H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P281-P301 + P310-P305 + P351 + P338-P331; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: 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 3; UN 2924 3/PG 2

Product Information

• Concentration: 25 wt. % in toluene
• Linear Formula: Y(OCH(CH3)2)3
• Empirical Formula (Hill Notation): C9H21O3Y

DETAILS

Sigma Aldrich - 380296

Packaging
5, 25 mL in glass bottle

Sigma Aldrich - 665916

Application
In many asymmetric catalysis applications, glove box and Schlenk techniques should be employed to prevent exposure of the rare earth catalyst to air and moisture, which can be detrimental to the reaction outcome. Solutions of the catalyst should be made using anhydrous solvents and used shortly after preparation.
Catalyst for:
• Stereoselective conjugate addition reactions1
• Ring-opening polymerizations2
• Generation of reactive enolates by enantioselective protonation reactions3
• Cyano-phosphorylation of enone and allylic substitution4
• Synthesis of nanocomposites5Reactant for the preparation of flat HfO2 films6
Packaging
500 mg in glass bottle
Legal Information
Product of Kojundo Chemical Laboratory Co., Ltd