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

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 
• 7397-53-7 bis(diethylboryl)amine 
• 13709-86-9 ammonia trifluoroborane 

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.

The infrared spectrum of aminodifluoroborane, NH2BF2: Partial assignment of the fundamentals and analysis of the 21/0 band near 1608 cm-1

The infrared spectrum of gas phase aminodifluoroborane, NH2BF2, has been observed for the first time.A partial assignment to the fundamental vibrations has been made.The 21/0 band has been recorded at high resolution, and the rotational and centrifugal distortion constants of NH211BF2 have been obtained in both the ground and 21 levels.A small rotational perturbation in the 21 level has been attributed to a perpendicular Coriolis interaction.Using a newly written least-squares fitting program, spectroscopic constants of the unseen level have been evaluated, including its band origin and the Coriolis coupling coefficient.Possible identities of the unseen level are suggested.