sodium hydrate vanadiumoylolate

• ChemBase ID: 134647
• Molecular Formular: H2NaO4V
• Molecular Mass: 139.94475
• Monoisotopic Mass: 139.92903733
• SMILES: O.[O-][V](=O)=O.[Na+]
• Canonical SMILES: [O-][V](=O)=O.O.[Na+]
• InChI: InChI=1S/Na.H2O.3O.V/h;1H2;;;;/q+1;;;;-1
• InChIKey: VOFMXYAEOBISIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrate vanadiumoylolate
• IUPAC Traditional name: sodium dioxidovanadium(1+) hydrate
• Synonyms: Sodium metavanadate hydrate; 偏钒酸钠 水合物

Database IDs

• EC Number: 237-272-7
• MDL Number: MFCD00151340
• PubChem SID: 162228923; 24881267
• PubChem CID: 516858

CALCULATED PROPERTIES

• Acid pKa: -2.0
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.5027976
• LogD (pH = 7.4): -3.5028
• Log P: -1.239
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 5.269752 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3285
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-36/37/38
• Safety Statements: 26-36/37-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3285 6.1/PG 3

Product Information

• Purity: 99.9%
• Linear Formula: NaVO3 · xH2O