bis(oxolane); tetrachlorohafnium

• ChemBase ID: 148060
• Molecular Formular: C8H16Cl4HfO2
• Molecular Mass: 464.51344
• Monoisotopic Mass: 463.93699047
• SMILES: C1CCOC1.C1CCOC1.Cl[Hf](Cl)(Cl)Cl
• Canonical SMILES: C1CCCO1.C1CCCO1.Cl[Hf](Cl)(Cl)Cl
• InChI: InChI=1S/2C4H8O.4ClH.Hf/c2*1-2-4-5-3-1;;;;;/h2*1-4H2;4*1H;/q;;;;;;+4/p-4
• InChIKey: KSIFQVHSGOEHQQ-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(oxolane); tetrachlorohafnium
• IUPAC Traditional name: hafnium(IV) chloride; bis(tetrahydrofuran)
• Synonyms: Tetrachlorobis(tetrahydrofuran)hafnium; Hafnium(IV) chloride tetrahydrofuran complex (1:2); 氯化铪(IV)四氢呋喃络合物 (1:2)

Database IDs

• CAS Number: 21959-05-7
• MDL Number: MFCD00192198
• PubChem SID: 162242239; 24864162
• PubChem CID: 11812625

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: 187 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H302-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2925 4.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: HfCl4 · 2THF

DETAILS

Sigma Aldrich - 395412

Packaging
10 g in glass bottle