Basic information
- CAS
1109-15-5- Standard SMILES
Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F- InChIKey
OBAJXDYVZBHCGT-UHFFFAOYSA-N- Molecular formula
- C18BF15
- Average molar mass
- 512 g/mol
- Monoisotopic mass
- 511.9853526
Names & identifiers
- Preferred name
- Tris(pentafluorophenyl)borane
- IUPAC
- tris(2,3,4,5,6-pentafluorophenyl)borane
- English name
- TRIS(PENTAFLUOROPHENYL)BORANE
- Molecular formula
- C18BF15
- Molecular weight
- 511.98
Names & synonyms
Tris(pentafluorophenyl)borane1109-15-5I3WU5E2578DTXSID6074594BF-15RefChem:192143DTXCID4033182601-014-5Tris(perfluorophenyl)boraneTris(2,3,4,5,6-pentafluorophenyl)boraneTRIS(PENTAFLUOROPHENYL)BORONMFCD00269813
Show more names
Tris(Pentafluorophenyl)BorateTris(pentafluorophenyl)boron,min.97%Tris(pentafLperfluorotriphenylboronePERFLUOROTRIPHENYLBORANE
C18BF15TRIS (PENTAFLUORO) PHENYL BORANE135072-62-7Borane, tris(2,3,4,5,6-pentafluorophenyl)-B(C6F5)3PerfluorotriphenylboronBorane, tris(pentafluorophenyl)-tri(pentafluorophenyl)borane
Database identifiers
- CAS
1109-15-5、135072-62-7- PubChem CID
- 582056
- DTXSID
DTXSID6074594- UNII
- I3WU5E2578
- EC Number
- 195-368-3、414-000-7、601-014-5
- Nikkaji
- J640.919I
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Melting point
- 126 · 126-131 °C (lit.)
- Boiling point
- 327.3 · 327.3±42.0 °C(Predicted)
- Density
- 0.73 g/mL · 0.73 g/mL at 20 °C
- refractive index
- 20 · n20/D 1.41
- Flash point
- 7 °C · 7 °C
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Soluble in hexane, chloroform, dichloromethane, toluene, and polar solvents.
- form
- Powder
- Specific Gravity
- 1.7 · 1.7
- color
- White to light yellow-beige
- Sensitive
- Moisture Sensitive
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- λmax
- 306 nm · 306nm(Toluene)(lit.)
- Merck
- 14 · 14,9755
- BRN
- 2931347 · 2931347
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (96.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 62 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 31-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/9908
Hazard Classes and Categories
Acute Tox. 3 (96.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)
Regulatory information
Regulatory Information
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBorane, tris(2,3,4,5,6-pentafluorophenyl)-: ACTIVE
Applications
UsesTris(pentafluorophenyl)borane (CAS# 1109-15-5) is a useful research chemical, used as a catalyst in the metal-free catalytic reductive cleavage of enol ethers via proposed mechanism of tandem hydrosilylation and silicon-assisted β-elimination. Tris(pentafluorophenyl)borane also appears as an ancillary ligand in luminescent isocyano Rh(I) complexes.
UsesTris(pentafluorophenyl)borane is used as an excellent activator component in homogeneous Ziegler-Natta chemistry. It is also used as a catalyst for reductions, alkylations, hydrometallation reactions and catalyzed aldol-type reactions. It is a useful Lewis acid and catalyzes hydrosilylation of aldehydes. Further, it is used in olefin polymerization catalysis. It serves as a reagent in the preparation of organometallic complexes. In addition to this, it is useful as polymerization catalysts and used to study the heterolytic cleavage of dihydrogen in associated with tri-tert-butylphosphine.
UsesCatalyst in organic transformations; cocatalyst with group IV metallocene alkyls in olefin polymerization.
General DescriptionB(C6F5)3 is a Lewis acid, stronger than the inorganic parent molecule BF3. In contrast to the prominent Lewis acids, the pentafluorides of the heavier elements of group 15, B(C6F5)3 has no oxidizing properties. B(C6F5)3 forms adducts with neutral and weaker Lewis bases. B(C6F5)3 has the capability to easily accept anionic ligands bonded to metals.
Upstream & downstream products
Upstream raw materials
Related reactions
74 records
Compound notes
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