4-({oxo[(4-oxopent-2-en-2-yl)oxy]vanadio}oxy)pent-3-en-2-one

• ChemBase ID: 140641
• Molecular Formular: C10H14O5V
• Molecular Mass: 265.15666
• Monoisotopic Mass: 265.02808305
• SMILES: C/C(=C\C(=O)C)/O[V](=O)O/C(=C/C(=O)C)/C
• Canonical SMILES: C/C(=C\C(=O)C)/O[V](=O)O/C(=C/C(=O)C)/C
• InChI: InChI=1S/2C5H8O2.O.V/c2*1-4(6)3-5(2)7;;/h2*3,6H,1-2H3;;/q;;;+2/p-2
• InChIKey: JFHJZWAQYMGNBE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({oxo[(4-oxopent-2-en-2-yl)oxy]vanadio}oxy)pent-3-en-2-one
• IUPAC Traditional name: 4-({oxo[(4-oxopent-2-en-2-yl)oxy]vanadio}oxy)pent-3-en-2-one
• Synonyms: VO(acac)2; Vanadium(IV)-oxy acetylacetonate; Vanadyl acetylacetonate; 氧化钒(IV)乙酰丙酮; 氧化二乙酰丙酮合钒

Database IDs

• CAS Number: 3153-26-2
• EC Number: 221-590-8
• MDL Number: MFCD00000032
• Beilstein Number: 4138236
• PubChem SID: 24880742; 162234882; 24879146
• PubChem CID: 16217092

CALCULATED PROPERTIES

• Acid pKa: 19.039583
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3532
• LogD (pH = 7.4): 0.3532
• Log P: 0.3532
• Molar Refractivity: 56.2927 cm^3
• Polarizability: 23.740131 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 235 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 22-26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (RT); 95%; 98%; 99.99% trace metals basis
• Grade: purum
• Linear Formula: OV(C5H7O2)2

DETAILS

Sigma Aldrich - 550787

Packaging
10, 50 g in poly bottle

Sigma Aldrich - 574562

General description
Atomic number of base material: 23 Vanadium
Packaging
5 g in poly bottle

Sigma Aldrich - 212873

Packaging
1 kg in poly bottle
10 g in poly bottle