tris(propan-2-yloxy)samarium

• ChemBase ID: 150181
• Molecular Formular: C9H21O3Sm
• Molecular Mass: 327.62124
• Monoisotopic Mass: 329.06880153
• SMILES: CC(C)O[Sm](OC(C)C)OC(C)C
• Canonical SMILES: CC(O[Sm](OC(C)C)OC(C)C)C
• InChI: InChI=1S/3C3H7O.Sm/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
• InChIKey: HJCRVWSKQNDSPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yloxy)samarium
• IUPAC Traditional name: triisopropoxysamarium
• Synonyms: Samarium(III) isopropoxide; 异丙氧基钐(III)

Database IDs

• CAS Number: 3504-40-3
• MDL Number: MFCD00058820
• PubChem SID: 24865693; 162244342
• PubChem CID: 11110239

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: 25.56772 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• 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: 3
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: 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

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: Sm[OCH(CH3)2]3

DETAILS

Sigma Aldrich - 410136

Application
Used with a dinucleating Schiff base ligand in a catalytic asymmetric nitro-Mannich reaction.1
Packaging
1 g in ampule