molybdenum(5+) ion bis(propan-2-olate) trichloride

• ChemBase ID: 303790
• Molecular Formular: C6H14Cl3MoO2
• Molecular Mass: 320.49316
• Monoisotopic Mass: 320.91134573
• SMILES: CC(C)[O-].CC(C)[O-].[Cl-].[Cl-].[Cl-].[Mo+5]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[Cl-].[Cl-].[Cl-].[Mo+5]
• InChI: InChI=1S/2C3H7O.3ClH.Mo/c2*1-3(2)4;;;;/h2*3H,1-2H3;3*1H;/q2*-1;;;;+5/p-3
• InChIKey: FLMAOYLBZCKLAH-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: molybdenum(5+) ion bis(propan-2-olate) trichloride
• IUPAC Traditional name: molybdenum(5+) ion bis(propan-2-olate) trichloride
• Synonyms: Molybdenum(V) trichloride-isopropoxide; 三氯异丙醇钼(V)

Database IDs

• CAS Number: 53780-81-7
• MDL Number: MFCD02682829

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)
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H318
• GHS Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 25% (w/v) in isopropanol