223440-98-0

Basic information

• Product Name: Boroxin, tris(pentafluorophenyl)-
• CAS NO: 223440-98-0
• Molecular Formula: C18B3F15O3
• Molecular Weight: 581.60000
• Mol File: 223440-98-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Boroxin, tris(pentafluorophenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Boroxin, tris(pentafluorophenyl)-(223440-98-0)
• EPA Substance Registry System: Boroxin, tris(pentafluorophenyl)-(223440-98-0)

Safety Data

• Hazardous Substances Data: 223440-98-0(Hazardous Substances Data)

Upstream product

• 34221-90-4 2-pentafluorophenyl-1,3,2-dioxaborolan-4,5-dione 
• 1582-24-7 pentafluorophenylboronic acid 
• 119-61-9 benzophenone 
• 72886-65-8 (tert-butylimino)-(pentafluorophenyl)borane 

Downstream Products

• 1582-24-7 pentafluorophenylboronic acid 

Relevant articles and documents

Analysis of geometric parameters and packing considerations for triphenylboroxine derivatives, with tris(penta-fluoro-phen-yl)boroxine as an example

Mol-ecules of the title compound [systematic name: 2,4,6-(penta- fluorophenyl)-1,3,5,2,4,6-trioxatriborinane], C18B3F 15O3, are located on crystallographic twofold rotation axes which run through the boroxine and one of the penta-fluoro-phenyl rings. The boroxine ring (r.m.s. deviation = 0.027 A) and the penta-fluoro-phenyl rings (r.m.s. deviations = 0.004 and 0.001 A) are essentially planar. The dihedral angles between the boroxine and the two symmetry-independent benzene rings are 8.64 (10) and 8.74 (12)°. The two benzene rings are mutually coparallel [dihedral angle = 0.80 (11)°]. The packing shows planes of mol-ecules parallel to ( 01), with an inter-planar spacing of 2.99 A. Within these planes, all the mol-ecules are oriented in the same direction, whereas in neighbouring planes the direction is inverted. Short B...F contacts of 3.040 (2) and 3.1624 (12) A occur between planes. The geometric parameters of the boroxine ring in the title compound agree well with those of comparable boroxine structures, while the packing reveals some striking similarities and differences.

Polyfluoroorganoboron-oxygen compounds. 1: Polyfluorinated aryl(dihydroxy)boranes and tri(aryl)boroxins

A general preparative procedure for polyfluorinated aryl(dihydroxy)boranes C6H5-nFnB(OH)2 (n = 3 - 5) is described. Polyfluorinated aryl(dihydroxy)boranes are easily dehydrated to the corresponding tri(aryl)boroxins (C6H5-nFnBO)3 by thermal or chemical treatment. The property of the acids C6H5-nFnB(OH)2 to condensate depends on the number and on the position of the fluorine atoms in the aryl group. Examples of both classes of boron compounds were isolated as pure individuals and characterized by multinuclear NMR spectroscopy.