bis(methanol); trifluoroborane

• ChemBase ID: 295690
• Molecular Formular: C2H8BF3O2
• Molecular Mass: 131.8899296
• Monoisotopic Mass: 132.05694456
• SMILES: B(F)(F)F.CO.CO
• Canonical SMILES: FB(F)F.OC.OC
• InChI: InChI=1S/2CH4O.BF3/c2*1-2;2-1(3)4/h2*2H,1H3
• InChIKey: MPRMFRXCVMCOMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(methanol); trifluoroborane
• IUPAC Traditional name: boron trifluoride; bis(methanol)
• Synonyms: Boron trifluoride-dimethanol complex; 三氟化硼二甲醇络合物

Database IDs

• CAS Number: 2802-68-8
• EC Number: 220-543-9
• MDL Number: MFCD00071635
• PubChem SID: 180681221
• PubChem CID: 10898754

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

• Boiling Point: 58-60°C/4mm
• Flash Point: 68°C(154°F)
• Density: 1.222

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN2922
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 23/24/25-34
• Safety Statements: 4-9-20-23-26-27-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Hazard statements: H300-H310-H330-H314-H318-H227
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A

Product Information

• Purity: 50-52% w/w boron trifluoride

REFERENCES

• Reagent for esterification of acids: J. Chem. Soc., 5770 (1965); and also for the selective cleavage of trityl ethers: Carbohydr. Res., 65, 132 (1978).