methoxymethane trifluoroborane hydrofluoride

• ChemBase ID: 138199
• Molecular Formular: C2H7BF4O
• Molecular Mass: 133.8809928
• Monoisotopic Mass: 134.05260812
• SMILES: B(F)(F)F.COC.F
• Canonical SMILES: FB(F)F.COC.F
• InChI: InChI=1S/C2H6O.BF3.FH/c1-3-2;2-1(3)4;/h1-2H3;;1H
• InChIKey: ROVHHTLFIJTTKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxymethane trifluoroborane hydrofluoride
• IUPAC Traditional name: boron trifluoride methyl ether hydrofluoride
• Synonyms: (Dimethyl ether)hydrogen tetrafluoroborate; Dimethyloxonium tetrafluoroborate; Tetrafluoroboric acid dimethyl etherate; Fluoroboric acid dimethyl ether complex; Tetrafluoroboric acid dimethyl ether complex (1:1 mole complex); Tetrafluoroboric acid dimethyl ether complex; 氟硼酸-二甲醚络合物; 四氟硼酸-二甲醚络合物（1:1 摩尔比络合）; 四氟硼酸-二甲醚络合物

Database IDs

• CAS Number: 67969-83-9
• MDL Number: MFCD00085351
• PubChem SID: 24849582; 162232457; 24850576
• PubChem CID: 16211332

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.5525
• LogD (pH = 7.4): 0.5525
• Log P: 0.5525
• Molar Refractivity: 4.5039 cm^3
• Polarizability: 2.6677341 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -41 °C; -41.8 °F
• Density: 1.1 g/mL at 25 °C(lit.); 1.30 g/mL at 20 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 11-34; 12-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314; H225-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90.0% (T)
• Grade: technical
• Linear Formula: HBF4 · O(CH3)2

DETAILS

Sigma Aldrich - 176400

Packaging
50, 100 g in poly bottle