zirconium(4+) ion bis(oxolane) tetrachloride

• ChemBase ID: 303412
• Molecular Formular: C8H16Cl4O2Zr
• Molecular Mass: 377.24744
• Monoisotopic Mass: 373.89514447
• SMILES: C1CCOC1.C1CCOC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
• Canonical SMILES: C1CCCO1.C1CCCO1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
• InChI: InChI=1S/2C4H8O.4ClH.Zr/c2*1-2-4-5-3-1;;;;;/h2*1-4H2;4*1H;/q;;;;;;+4/p-4
• InChIKey: VDJJKYYENYIHFF-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion bis(oxolane) tetrachloride
• IUPAC Traditional name: zirconium(4+) ion bis(tetrahydrofuran) tetrachloride
• Synonyms: Zirconium(IV) chloride - tetrahydrofuran complex; Tetrachlorobis(tetrahydrofuran)zirconium(IV); 双(四氢呋喃)四氯化锆(IV)

Database IDs

• CAS Number: 21959-01-3
• MDL Number: MFCD00145367

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: Crystalline
• Melting Point: 175-177°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3096
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A