Tris(pentafluorophenyl)borane is an organic compound with the formula C₁₈BF₁₅, and its systematic name is the same with the product name. With the CAS registry number 1109-15-5, it is also named as Perfluorotriphenylboron. It belongs to the product categories of B (Classes of Boron Compounds); Boranes; BoronAlphabetic; Precursors by Metal; TP - TZ; Vapor Deposition Precursors;organoboron compound. In addition, the molecular weight is 511.98. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used to prepare organometallic complexes and polymerization catalysts.

Physical properties of Tris(pentafluorophenyl)borane are: (1)ACD/LogP: 5.905; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.91; (4)ACD/LogD (pH 7.4): 5.91; (5)ACD/BCF (pH 5.5): 18096.46; (6)ACD/BCF (pH 7.4): 18096.46; (7)ACD/KOC (pH 5.5): 38830.45; (8)ACD/KOC (pH 7.4): 38830.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 81.331 cm³; (14)Molar Volume: 299.916 cm³; (15)Polarizability: 32.242×10^-24cm³; (16)Surface Tension: 28.94 dyne/cm; (17)Density: 1.707 g/cm³; (18)Flash Point: 151.728 °C; (19)Enthalpy of Vaporization: 54.693 kJ/mol; (20)Boiling Point: 327.271 °C at 760 mmHg ; (21)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by pentafluorophenyllithium at the ambient temperature. This reaction will need reagent boron tribromide and solvents light petroleum, hexane with the reaction time of 15 hours. The yield is about 48%.

Uses of Tris(pentafluorophenyl)borane: it can be used to produce 2-pentafluorophenyl-1,3-dioxa-2-bora-cyclopenta[b]naphthalene at the temperature of 20 °C. It will need solvent toluene with the reaction time of 2 days. The yield is about 31%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. If swallowed, it will not induce vomiting, but you need to seek medical advice immediately and show this container or label. It is irritating to eyes, respiratory system and skin and is highly flammable. This substance is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is harmful as it may cause lung damage if swallowed. Its vapours may cause drowsiness and dizziness. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste. You must avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(c(c(c(c1F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)c3c(c(c(c(c3F)F)F)F)F
(2)Std. InChI: InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
(3)Std. InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N