oxolane; trichlorovanadium

• ChemBase ID: 148590
• Molecular Formular: C4H8Cl3OV
• Molecular Mass: 229.40622
• Monoisotopic Mass: 227.90803242
• SMILES: C1CCOC1.Cl[V](Cl)Cl
• Canonical SMILES: C1CCCO1.Cl[V](Cl)Cl
• InChI: InChI=1S/C4H8O.3ClH.V/c1-2-4-5-3-1;;;;/h1-4H2;3*1H;/q;;;;+3/p-3
• InChIKey: WARDLUZTYLPMGJ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane; trichlorovanadium
• IUPAC Traditional name: tetrahydrofuran; trichlorovanadium
• Synonyms: Trichlorotris(tetrahydrofuran)vanadium; Vanadium(III) chloride tetrahydrofuran complex (1:3); 三氯化矾四氢呋喃络合物; 三氯化钒四氢呋喃络合物 (1:3)

Database IDs

• CAS Number: 19559-06-9
• MDL Number: MFCD00145515
• PubChem SID: 24864159; 162242765
• PubChem CID: 71311352

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53034693
• LogD (pH = 7.4): 0.53034693
• Log P: 0.53034693
• Molar Refractivity: 20.5535 cm^3
• Polarizability: 8.060449 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 265 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H302-H312-H314-H332
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2925 4.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: VCl3 · 3C4H8O

DETAILS

Sigma Aldrich - 395382

Packaging
5, 25 g in glass bottle