calcium bis(tetrafluoroboranuide) hydrate

• ChemBase ID: 150418
• Molecular Formular: B2CaF8H2O
• Molecular Mass: 231.7025056
• Monoisotopic Mass: 231.97899222
• SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.O.[Ca+2]
• Canonical SMILES: F[B-](F)(F)F.F[B-](F)(F)F.O.[Ca+2]
• InChI: InChI=1S/2BF4.Ca.H2O/c2*2-1(3,4)5;;/h;;;1H2/q2*-1;+2
• InChIKey: JOBMOPDWSRCZNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium bis(tetrafluoroboranuide) hydrate
• IUPAC Traditional name: calcium hydrate ditetrafluoroborate
• Synonyms: Calcium tetrafluoroborate hydrate; 四氟硼酸钙 水合物

Database IDs

• CAS Number: 304851-97-6
• MDL Number: MFCD00150200
• PubChem SID: 24864662; 162244579
• PubChem CID: 17749146

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: powder

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-H314-H332
• 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

• Purity: 70%
• Grade: technical grade
• Linear Formula: Ca(BF4)2·xH2O

DETAILS

Sigma Aldrich - 396257

Packaging
10 g in poly bottle