oxolane; trifluoroborane

• ChemBase ID: 99558
• Molecular Formular: C4H8BF3O
• Molecular Mass: 139.9119296
• Monoisotopic Mass: 140.06202994
• SMILES: O1CCCC1.B(F)(F)F
• Canonical SMILES: C1CCCO1.FB(F)F
• InChI: InChI=1S/C4H8O.BF3/c1-2-4-5-3-1;2-1(3)4/h1-4H2
• InChIKey: CHNLPLHJUPMEOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane; trifluoroborane
• IUPAC Traditional name: boron trifluoride; tetrahydrofuran
• Synonyms: Boron trifluoride tetrahydrofuran complex 95%; Boron trifluoride-tetrahydrofuran complex, BF; 45.5%

Database IDs

• CAS Number: 462-34-0
• EC Number: 207-325-9
• MDL Number: MFCD00040372
• PubChem SID: 162085821
• PubChem CID: 71088

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53034693
• LogD (pH = 7.4): 0.53034693
• Log P: 0.53034693
• Molar Refractivity: 20.5535 cm^3
• Polarizability: 8.060449 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 8-13°C; 8-9°C
• Boiling Point: 180°C; 180°C
• Flash Point: 92°C; 92°C(197°F)
• Density: 1.268

Safety Information

• Storage Warning: Corrosive/Toxic/Harmful/Moisture Sensitive/Store under Argon; Moisture Sensitive
• European Hazard Symbols: Toxic (T)
• UN Number: UN2922
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 20/22-34-48/23
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Hazard statements: H301-H330-H372-H314-H318-H227
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P405-P501A