tris(oxolane); trichlorovanadium

• ChemBase ID: 137821
• Molecular Formular: C12H24Cl3O3V
• Molecular Mass: 373.61766
• Monoisotopic Mass: 372.02306217
• SMILES: C1CCOC1.C1CCOC1.C1CCOC1.Cl[V](Cl)Cl
• Canonical SMILES: C1CCCO1.C1CCCO1.C1CCCO1.Cl[V](Cl)Cl
• InChI: InChI=1S/3C4H8O.3ClH.V/c3*1-2-4-5-3-1;;;;/h3*1-4H2;3*1H;/q;;;;;;+3/p-3
• InChIKey: WWRUFBWWHJODKK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(oxolane); trichlorovanadium
• IUPAC Traditional name: tris(tetrahydrofuran); trichlorovanadium
• Synonyms: Vanadium(III) chloride-tetrahydrofuran complex (1:3) solution; 三氯化钒四氢呋喃络合物 (1:3) 溶液

Database IDs

• CAS Number: 19559-06-9
• PubChem SID: 162232082
• PubChem CID: 6096202

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

• Boiling Point: 40 °C
• Flash Point: 18 °F; -8 °C
• Density: 1.312 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-34-40
• Safety Statements: 16-23-26-36/37/39-45
• RID/ADR: UN 2924 3/PG 2

Product Information

• Concentration: 0.5 M in methylene chloride
• Linear Formula: VCl3·3THF

DETAILS

Sigma Aldrich - 415588

Packaging
Packaged under nitrogen in Sure/Seal™ bottles
Legal Information
Sure/Seal is a trademark of Sigma-Aldrich Co. LLC