copper(2+) ion hydrate difluoride

• ChemBase ID: 302933
• Molecular Formular: CuF2O
• Molecular Mass: 117.5422064
• Monoisotopic Mass: 116.92131856
• SMILES: O.[F-].[F-].[Cu+2]
• Canonical SMILES: O.[F-].[F-].[Cu+2]
• InChI: InChI=1S/Cu.2FH.H2O/h;2*1H;1H2/q+2;;;/p-2
• InChIKey: YZWULHCOBMVFKP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion hydrate difluoride
• IUPAC Traditional name: copper(2+) ion hydrate difluoride
• Synonyms: Copper(II) fluoride hydrate, Puratronic®; 水合氟化铜(II), Puratronic®

Database IDs

• CAS Number: 13454-88-1
• EC Number: 232-147-3
• MDL Number: MFCD00010977
• Merck Index: 142638

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: >130°C dec.
• Density: 2.934

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• UN Number: UN3288
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22
• Safety Statements: 24
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302
• GHS Precautionary statements: P261-P321-P304+P340-P311-P405-P501A

Product Information

• Purity: 99.99% (metals basis)