13779-24-3

Basic information

• Product Name: 2,4,6-trifluoroborazine
• Synonyms: 2,4,6-Trifluoroborazine; borazine, 2,4,6-trifluoro-
• CAS NO: 13779-24-3
• Molecular Formula: H₃B₃F₃N₃
• Molecular Weight: 134.4721
• Mol File: 13779-24-3.mol
• Article Data: 2

Chemical Properties

• Density: 1.16g/cm³
• Refractive Index: 1.301
• CAS DataBase Reference: 2,4,6-trifluoroborazine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-trifluoroborazine(13779-24-3)
• EPA Substance Registry System: 2,4,6-trifluoroborazine(13779-24-3)

Safety Data

• Hazardous Substances Data: 13779-24-3(Hazardous Substances Data)

Upstream product

• 933-18-6 B,B',B''-trichloroborazine 
• 7783-56-4 antimony(III) fluoride 
• 7783-63-3 titanium(IV) fluoride 
• 13709-86-9 ammonia trifluoroborane 
• 7397-53-7 bis(diethylboryl)amine 

Relevant articles and documents

Structural chemistry of borazines

The solid-state structure of (HN=BF)3 has been redetermined. It is characterised by a stacking of the molecules, similar to hexagonal boron nitride. In contrast, (F3CH2N=BF)3 shows no intermolecular interactions between the planar borazine rings. In (Cl 2BN=BCl)3, the Cl2B groups are almost perpendicularly oriented to the planar borazine ring and its B-Cl bonds are shorter than the Cl-B bonds to the ring boron atoms. Reactions of (Cl 2BN=BCl)3 with Me3SiNMe2 allows a successive Cl/Me2N exchange. Depending on the molar ratio, the compounds [Cl(Me2N)BN=BCl]3, [(Me2N) 2BN=BCl]3 and [(Me2N)2BN=BNMe 2]3 are obtained. The latter two react with CH 2Cl2 by B-N bond cleavage of one ring boron bonded Me 2N group with formation of an N-H bond. These molecules not only possess a strongly distorted BN hexagon with short B-NH bonds but also a nonplanar borazine ring. The nonplanarity of the borazine ring is even more pronounced in [Me3SiN=BCl]3. A planar borazine ring is observed for (MeN=BBr)3. Its molecules are ordered into stacks by translation with borazine planes 4.2 A apart from each other. Characteristic of the structure are close contacts between neighbouring bromine atoms. Due to the steric demand of pentafluorophenyl groups, the borazine ring of (F5C6N=BBr)3 forms no stacks because one of the three F5C6 rings stands almost perpendicular to the borazine plane while the other two are twisted by 70°. Aminolysis of (F 5C6N=BBr)3 yields (F5C 6N=BNH2)3 with NH2 groups that are coplanar with the borazine ring. The phenyl groups of (HN=BPh)3 are twisted by only 30-40° relative to the borazine ring. A threefold crystallographic axis stands perpendicular to the ring plane. The sixfold crystallographic axis of the unit cell generates a channel structure with an internal diameter of 4.5 A. The two isomeric borazines, (iPrN=BMe) 3 and (MeN=BiPr)3 are structurally rather similar although the first of these has longer B-N bonds due to the shorter N-C bonds. Moreover, the B-N-B and N-B-N bond angles are slightly different. Wiley-VCH Verlag GmbH & Co. KGaA, 2008.