dichloro(oxo)zirconium

• ChemBase ID: 151878
• Molecular Formular: Cl2OZr
• Molecular Mass: 178.1294
• Monoisotopic Mass: 175.83732398
• SMILES: O=[Zr](Cl)Cl
• Canonical SMILES: Cl[Zr](=O)Cl
• InChI: InChI=1S/2ClH.O.Zr/h2*1H;;/q;;;+2/p-2
• InChIKey: IPCAPQRVQMIMAN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(oxo)zirconium
• IUPAC Traditional name: zirconium oxychloride
• Synonyms: Zirconyl chloride solution; 氧氯化锆 溶液

Database IDs

• CAS Number: 7699-43-6
• MDL Number: MFCD00011309
• PubChem SID: 162246024; 24870150
• PubChem CID: 24373

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9176
• LogD (pH = 7.4): 0.9176
• Log P: 0.9176
• Molar Refractivity: 13.7155 cm^3
• Polarizability: 9.818194 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Melting Point: -15 °C
• Density: 1.344 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1789
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1789 8/PG 2

Product Information

• Concentration: 30% in hydrochloric acid
• Linear Formula: ZrOCl2

DETAILS

Sigma Aldrich - 464198

Packaging
250 mL in glass bottle
Application
Building block for a new series of mixed zirconium phosphonates which may have uses in catalysis, ion exchange or photophysics.1