Boron Trifluoride Dibutyl Etherate

• Catalog: OFC593044
• CAS: 593-04-4
• Category: Inorganic Fluorides
• Synonyms: Boron trifluoride butyl ether
• Purity: >99%
• MDL Number: MFCD00013195

• IUPAC Name: 1-butoxybutane; trifluoroborane
• InChI: InChI=1S/C8H18O.BF3/c1-3-5-7-9-8-6-4-2;2-1(3)4/h3-8H2,1-2H3
• InChI Key: PVKVBDZRILNPJY-UHFFFAOYSA-N
• Isomeric SMILES: B(F)(F)F.CCCCOCCCC
• Canonical SMILES: FB(F)F.O(CCCC)CCCC
• EC Number: 209-783-5

• Molecular Formula: C8H18BF3O
• Molecular Weight: 198.03
• Boiling Point: 142.1 °C
• Density: 0.959 g/mL
• Appearance: Light yellow to light brown liquid

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 198.14028
• Monoisotopic Mass: 198.14028
• Topological Polar Surface Area: 9.2Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 45.8