zinc(2+) ion bis(tetrafluoroboranuide) hydrate

• ChemBase ID: 150457
• Molecular Formular: B2F8H2OZn
• Molecular Mass: 257.0045056
• Monoisotopic Mass: 255.94554324
• SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.O.[Zn+2]
• Canonical SMILES: F[B-](F)(F)F.F[B-](F)(F)F.O.[Zn+2]
• InChI: InChI=1S/2BF4.H2O.Zn/c2*2-1(3,4)5;;/h;;1H2;/q2*-1;;+2
• InChIKey: WKVXCUNBQMAPGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(tetrafluoroboranuide) hydrate
• IUPAC Traditional name: zinc(2+) ion hydrate ditetrafluoroborate
• Synonyms: Zinc tetrafluoroborate hydrate; 四氟硼酸锌 水合物

Database IDs

• CAS Number: 27860-83-9
• EC Number: 237-534-0
• MDL Number: MFCD00150371
• PubChem SID: 24860195; 162244618
• PubChem CID: 16212112

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

• Apperance: crystalline

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H312 + H332-H314
• GHS Precautionary statements: 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

• Compostion: Degree of hydration, 6-7
• Linear Formula: Zn(BF4)2·xH2O

DETAILS

Sigma Aldrich - 333875

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