oxovanadiumbis(ylium) hydrate sulfate

• ChemBase ID: 147746
• Molecular Formular: H2O6SV
• Molecular Mass: 181.01878
• Monoisotopic Mass: 180.90116828
• SMILES: O.[O-]S(=O)(=O)[O-].O=[V+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[V+2]=O.O
• InChI: InChI=1S/H2O4S.H2O.O.V/c1-5(2,3)4;;;/h(H2,1,2,3,4);1H2;;/q;;;+2/p-2
• InChIKey: DKCWBFMZNUOFEM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: oxovanadiumbis(ylium) hydrate sulfate
• IUPAC Traditional name: oxovanadium(IV) hydrate sulfate
• Synonyms: Vanadyl sulfate hydrate; Vanadium(IV) oxide sulfate hydrate; 硫酸氧钒(IV) 水合物

Database IDs

• CAS Number: 123334-20-3
• MDL Number: MFCD00149933
• PubChem SID: 24852296; 162241929; 24854005
• PubChem CID: 16211496

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder; solid
• Melting Point: 105 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2931
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2931 6.1/PG 2

Product Information

• Purity: ≥99.99% trace metals basis; 97%
• Compostion: Degree of hydration, 3-5
• Linear Formula: VOSO4 · xH2O

DETAILS

Sigma Aldrich - 204862

Packaging
10, 50 g in poly bottle

Sigma Aldrich - 233706

Packaging
25, 100, 500 g in poly bottle