molybdenum(5+) ion pentakis(propan-2-olate)

• ChemBase ID: 303298
• Molecular Formular: C15H35MoO5
• Molecular Mass: 391.3954
• Monoisotopic Mass: 393.15385722
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Mo+5]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Mo+5]
• InChI: InChI=1S/5C3H7O.Mo/c5*1-3(2)4;/h5*3H,1-2H3;/q5*-1;+5
• InChIKey: HLFWWCCBFJUYJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: molybdenum(5+) ion pentakis(propan-2-olate)
• IUPAC Traditional name: molybdenum(5+) ion pentakis(propan-2-olate)
• Synonyms: Molybdenum(V) isopropoxide; 异丙醇钼(V)

Database IDs

• CAS Number: 209733-38-0
• MDL Number: MFCD00210636

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; Powder

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1219; UN3181
• Hazard Class: 3; 4.1
• Packing Group: II; III
• Risk Statements: 11-36/37/38; 11-36/38-67
• Safety Statements: 16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H336; H228-H315-H319-H335
• GHS Precautionary statements: P210-P280G-P305+P351+P338; P210-P280G-P305+P351+P338-P337+P313

Product Information

• Purity: 99.6% (m.b.), 5% w/v in isopropanol; 99.6% (metals basis), 5% w/v in isopropanol; 99+% (metals basis)
• Packaging: packaged under Argon in resealable ChemSeal? bottles