tetrafluorozirconium dihydrofluoride

• ChemBase ID: 141459
• Molecular Formular: F6H2Zr
• Molecular Mass: 207.2302992
• Monoisotopic Mass: 205.91077338
• SMILES: F.F.F[Zr](F)(F)F
• Canonical SMILES: F[Zr](F)(F)F.F.F
• InChI: InChI=1S/6FH.Zr/h6*1H;/q;;;;;;+4/p-4
• InChIKey: DXIGZHYPWYIZLM-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluorozirconium dihydrofluoride
• IUPAC Traditional name: zirconium(IV) fluoride dihydrofluoride
• Synonyms: Hydrogen zirconium fluoride; Dihydrogen hexafluorozirconate solution; Hexafluorozirconic acid solution; 二氢六氟锆酸盐 溶液; 六氟锆酸 溶液

Database IDs

• CAS Number: 12021-95-3
• MDL Number: MFCD00082965
• PubChem SID: 24885513; 162235693
• PubChem CID: 14299283

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.37
• LogD (pH = 7.4): 1.37
• Log P: 1.37
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 6.24723 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.512 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3264
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 23/24/25-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331-H314
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P310
• RID/ADR: UN 3264 8/PG 2

Product Information

• Concentration: 50 wt. % in H2O
• Linear Formula: H2ZrF6

DETAILS

Sigma Aldrich - 679755

Packaging
1 L in poly bottle
250 mL in poly bottle
Application
Used for:
• Hexafluorozirconic acid based surface pretreatments on steel for corrosion resistance1
• Preparation of titania photocatalyst synthesized from ionic-liquid-like precursor2
• Synthesis of fluoride-releasing dental monomer3
• As precursor to ZrO2 ceramic thin films4