ethoxyethane trifluoroborane hydrofluoride

• ChemBase ID: 149659
• Molecular Formular: C4H11BF4O
• Molecular Mass: 161.9341528
• Monoisotopic Mass: 162.08390825
• SMILES: B(F)(F)F.CCOCC.F
• Canonical SMILES: FB(F)F.CCOCC.F
• InChI: InChI=1S/C4H10O.BF3.FH/c1-3-5-4-2;2-1(3)4;/h3-4H2,1-2H3;;1H
• InChIKey: XFHGDBFMJCLEOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethoxyethane trifluoroborane hydrofluoride
• IUPAC Traditional name: boron trifluoride diethyl ether hydrofluoride
• Synonyms: Fluoroboric acid diethyl ether complex; Tetrafluoroboric acid diethyl ether complex; 氟硼酸-二乙醚络合物; 四氟硼酸-二乙醚络合物

Database IDs

• CAS Number: 67969-82-8
• EC Number: 267-983-8
• MDL Number: MFCD00085352
• PubChem SID: 24849579; 162243822; 24864866
• PubChem CID: 11344169

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.83816534
• LogD (pH = 7.4): 0.83816534
• Log P: 0.83816534
• Molar Refractivity: 22.5097 cm^3
• Polarizability: 8.788117 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 129 °C; 264.2 °F
• Density: 1.18 g/mL at 25 °C; 1.19 g/mL at 20 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3129
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H261-H314
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3129 4.3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 51-57% HBF4 in diethyl ether (T)
• Grade: purum
• Linear Formula: HBF4 · O(CH2CH3)2

DETAILS

Sigma Aldrich - 400068

Packaging
25, 100, 400 mL in PFA/FEP bottle