Tris(pentafluorophenyl)borane - ≥97% , CAS No.1109-15-5

CAS: 1109-15-5 Cat. No.: T109495 Formula: C₁₈BF₁₅ Molecular Weight: 511.98 Beilstein Registry Number: 2931347 EC Number: 414-000-7 PubChem CID: 582056

GRADE & PURITY ≥97%

Synonyms

tris(pentafluorophenyl)-borane | Tris(perfluorophenyl)borane | Perfluorotriphenylboron | Tris(2,3,4,5,6-pentafluorophenyl)borane

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

B(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.

Application：

A versatile reagent widely used in the preparation of d0 arene and other organometallic complexes useful as polymerization catalysts. 

Used with tri-tert-butylphosphine (570958) to study the heterolytic cleavage of dihydrogen at room temperature and one atmosphere pressure.

Specifications

Synonyms

tris(pentafluorophenyl)-borane | Tris(perfluorophenyl)borane | Perfluorotriphenylboron | Tris(2,3,4,5,6-pentafluorophenyl)borane

Specifications & Purity

≥97%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

508811406

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811406

Canonical Smiles

B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F

IUPAC Name

tris(2,3,4,5,6-pentafluorophenyl)borane

InChIKey

OBAJXDYVZBHCGT-UHFFFAOYSA-N

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

Isomeric SMILES

B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F

WGK Germany

3

PubChem CID

582056

Molecular Weight

511.98

Beilstein

2931347

Reaxy-Rn

2931347

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organic metalloid salts Organofluorides Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organofluoride - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in hexane, chloroform, dichloromethane, toluene, and polar solvents
• Sensitivity: heat sensitive，Moisture sensitive
• Melt Point(°C): 126-130°C
• Molecular Weight: 512.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 3
• Exact Mass: 511.985 Da
• Monoisotopic Mass: 511.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 566.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3