copper(2+) ion bis(tetrafluoroboranuide) hydrate

• ChemBase ID: 126704
• Molecular Formular: B2CuF8H2O
• Molecular Mass: 255.1705056
• Monoisotopic Mass: 254.94599874
• SMILES: [Cu+2].F[B-](F)(F)F.F[B-](F)(F)F.O
• Canonical SMILES: F[B-](F)(F)F.F[B-](F)(F)F.O.[Cu+2]
• InChI: InChI=1S/2BF4.Cu.H2O/c2*2-1(3,4)5;;/h;;;1H2/q2*-1;+2
• InChIKey: JYLPBVRGTDBGBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(tetrafluoroboranuide) hydrate
• IUPAC Traditional name: copper(2+) ion hydrate ditetrafluoroborate
• Synonyms: Copper(II) tetrafluoroborate hexahydrate; Copper(II) tetrafluoroborate; Copper(II) tetrafluoroborate hydrate; 六水合四氟硼酸铜(II); 四氟硼酸铜 水合物

Database IDs

• CAS Number: 72259-10-0; 207121-39-9; 14735-84-3
• EC Number: 253-959-4
• MDL Number: MFCD00150223
• PubChem SID: 24862673; 162221032
• PubChem CID: 53442999; 170058
• Chemspider ID: 21241480
• Wikipedia Title: Copper(II)_tetrafluoroborate

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 3.1085358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in water
• Apperance: Crystalline; solid

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: 3260; UN3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 20/21/22-34; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 2

Product Information

• Purity: 98%
• Compostion: Cu(II), 19-22%
• Linear Formula: Cu(BF4)2 · xH2O

DETAILS

Sigma Aldrich - 366587

Packaging
50, 250 g in poly bottle
Application
Starting material for homometallic, trinuclear heteroscorpionate complexes applied in studies of electronic and magnetic properties.1

REFERENCES

• Catalyst for acetylation of alcohols, phenols, thiols or amines with acetic anhydride, effective at 1 mol % under solvent-free conditions: Synthesis, 111 (2004). The method has also been applied to the formation of 1,1-diacetates from aldehydes: Synthesis, 831 (2004). Under similar conditions, conjugate addtion of thiols to ɑ,?-unsaturated carbonyl compounds can be effected: Tetrahedron Lett., 46, 1721 (2005). Catalyzes the ring-opening of epoxides by alcohols: Org. Lett., 4, 2817 (2002), or amines: Tetrahedron Lett., 46, 2675 (2005). Aldehydes and ketones are converted to their dimethyl or diethyl acetals in high yield with the corresponding orthoformates: Tetrahedron Lett., 46, 8319 (2005). Efficient conversion to 1,3-dithiolanes or 1,3-dithianes can also be achieved: Tetrahedron Lett., 46, 6213 (2005). Rapid and efficient formation of Boc derivatives of amines with Di-tert-butyl dicarbonate, A14708 has also been described: Tetrahdron Lett., 47, 1087 (2006).