hafnium(4+) ion tetrachloride

• ChemBase ID: 302842
• Molecular Formular: Cl4Hf
• Molecular Mass: 320.302
• Monoisotopic Mass: 319.82196072
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Hf+4]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Hf+4]
• InChI: InChI=1S/4ClH.Hf/h4*1H;/q;;;;+4/p-4
• InChIKey: PDPJQWYGJJBYLF-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: hafnium(4+) ion tetrachloride
• IUPAC Traditional name: hafnium(4+) ion tetrachloride
• Synonyms: Hafnium(IV) chloride; 氯化铪

Database IDs

• CAS Number: 13499-05-3
• EC Number: 236-826-5
• MDL Number: MFCD00011034
• Merck Index: 144588

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 320°C subl.

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 98+% (metals basis excluding Zr), Zr <2.7%

REFERENCES

• Lewis acid catayst. The complex with THF is an effective catalyst for dehydration of hydroxy enals and enones in the formation of di-, tri- and tetraenals and -enones: Synlett, 1690 (2001).