samarium(3+) ion tris(propan-2-olate)

• ChemBase ID: 303582
• Molecular Formular: C9H21O3Sm
• Molecular Mass: 327.62124
• Monoisotopic Mass: 329.06880153
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sm+3]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Sm+3]
• 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: samarium(3+) ion tris(propan-2-olate)
• IUPAC Traditional name: samarium(3+) ion tris(propan-2-olate)
• Synonyms: Samarium(III) isopropoxide; 异丙醇钐(III)

Database IDs

• CAS Number: 3504-40-3
• MDL Number: MFCD00058820

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: UN3274
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34-48/20-63-67
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Hazard statements: H225-H314-H318-H361-H373-H336
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 99% (REO), 5% w/v in toluene/isopropanol