Bromine trifluoride

Bromine trifluoride
Structural formula, showing bond lengths and angles
Bromine Trifluoride
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.029.211 Edit this at Wikidata
EC Number
  • 232-132-1
UNII
UN number 1746
  • InChI=1S/BrF3/c2-1(3)4
    Key: FQFKTKUFHWNTBN-UHFFFAOYSA-N
  • FBr(F)F
Properties
BrF3
Molar mass 136.90 g/mol
Appearance straw-coloured liquid
hygroscopic
Odor Choking, pungent[1]
Density 2.803 g/cm3 [2]
Melting point 8.77 °C (47.79 °F; 281.92 K)
Boiling point 125.72 °C (258.30 °F; 398.87 K)
Reacts with water[3]
Structure
T-shaped (C2v)
1.19 D
Hazards[4]
Occupational safety and health (OHS/OSH):
Main hazards
 Reacts violently with water to release HF, highly toxic, corrosive, powerful oxidizer
GHS labelling:
GHS03: OxidizingGHS05: CorrosiveGHS06: ToxicGHS08: Health hazard
Danger
H271, H300+H310+H330, H314, H373
P102, P103, P210, P220, P221, P260, P264, P271, P280, P283, P284, P301+P310, P301+P330+P331, P303+P361+P353, P304+P312, P305+P351+P338+P310, P306+P360, P308+P313, P340, P363, P370+P380
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 4: Very short exposure could cause death or major residual injury. E.g. VX gasFlammability 0: Will not burn. E.g. waterInstability 4: Readily capable of detonation or explosive decomposition at normal temperatures and pressures. E.g. nitroglycerinSpecial hazard W+OX: Reacts with water in an unusual or dangerous manner AND is oxidizer
4
0
4
W
OX
Safety data sheet (SDS) http://www.chammascutters.com/en/downloads/Bromine-Trifluoride-MSDS.pdf
Related compounds
Other anions
 Bromine monochloride
Other cations
 Chlorine trifluoride
Iodine trifluoride
Related compounds
 Bromine monofluoride
Bromine pentafluoride
Supplementary data page
Bromine trifluoride (data page)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Bromine trifluoride is an interhalogen compound with the formula BrF3. At room temperature, it is a straw-coloured liquid with a pungent odor[5] which decomposes violently on contact with water and organic compounds. It is a powerful fluorinating agent and an ionizing inorganic solvent. It is used to produce uranium hexafluoride (UF6) in the processing and reprocessing of nuclear fuel.[6]

Synthesis

Bromine trifluoride was first described by Paul Lebeau in 1906, who obtained the material by the reaction of bromine with fluorine at 20 °C:[7]

Br2 + 3 F2 → 2 BrF3

The disproportionation of bromine monofluoride also gives bromine trifluoride:[5]

3 BrF → BrF3 + Br2

Structure

Like ClF3 and IF3, the BrF3 molecule is T-shaped and planar. In the VSEPR formalism, the bromine center is assigned two electron lone pairs. The distance from the bromine atom to each axial fluorine atom is 1.81 Å and to the equatorial fluorine atom is 1.72 Å. The angle between an axial fluorine atom and the equatorial fluorine atom is slightly smaller than 90° — the 86.2° angle observed is due to the repulsion generated by the electron pairs being greater than that of the Br-F bonds.[8][9]

Chemical properties

In a highly exothermic reaction, BrF3 reacts with water to form hydrobromic acid and hydrofluoric acid:

BrF3 + 2 H2O → 3 HF + HBr + O2

BrF3 is a fluorinating agent, but less reactive than ClF3.[10] Already at -196 °C, it reacts with acetonitrile to give 1,1,1-trifluoroethane.[11]

BrF3 + CH3CN → CH3CF3 + 1⁄2 Br2 + 1⁄2 N2

The liquid is conducting, owing to autoionisation:[6]

2 BrF3 ⇌ BrF+2 + BrF−4

Fluoride salts dissolve readily in BrF3 forming tetrafluorobromate:[6]

KF + BrF3 → KBrF4

It reacts as a fluoride donor:[12]

BrF3 + SbF5 → [BrF+2][SbF−6]

References

  1. ^ "Safety Data Sheet : Bromine Trifluoride" (PDF). Chammascutters.com. Retrieved 2022-03-17.
  2. ^ Lide, David R., ed. (2006). CRC Handbook of Chemistry and Physics (87th ed.). Boca Raton, FL: CRC Press. ISBN 0-8493-0487-3.
  3. ^ "Archived copy" (PDF). Archived from the original (PDF) on 2012-05-13. Retrieved 2012-11-25.{{cite web}}: CS1 maint: archived copy as title (link)
  4. ^ "Safety Data Sheet Bromine Trifluoride" (PDF). Airgas. Retrieved 16 January 2020.
  5. ^ a b Simons JH (1950). "Bromine(III) Fluoride (Bromine Trifluoride)". Bromine (III) Fluoride - Bromine Trifluoride. Inorganic Syntheses. Vol. 3. pp. 184–186. doi:10.1002/9780470132340.ch48. ISBN 978-0-470-13234-0.
  6. ^ a b c Greenwood, Norman N.; Earnshaw, Alan (1997). Chemistry of the Elements (2nd ed.). Butterworth-Heinemann. ISBN 978-0-08-037941-8.
  7. ^ Lebeau P. (1906). "The effect of fluorine on chloride and on bromine". Annales de Chimie et de Physique. 9: 241–263.
  8. ^ Gutmann V (1950). "Die Chemie in Bromitrifluorid". Angewandte Chemie. 62 (13–14): 312–315. Bibcode:1950AngCh..62..312G. doi:10.1002/ange.19500621305.
  9. ^ Meinert H (1967). "Interhalogenverbindungen". Zeitschrift für Chemie. 7 (2): 41–57. doi:10.1002/zfch.19670070202.
  10. ^ Rozen, Shlomo; Sasson, Revital (2007). "Bromine Trifluoride". Encyclopedia of Reagents for Organic Synthesis. doi:10.1002/9780470842898.rb266.pub2. ISBN 978-0471936237.
  11. ^ Rozen, Shlomo (2010). "Selective Reactions of Bromine Trifluoride in Organic Chemistry". Advanced Synthesis & Catalysis. 352 (16): 2691–2707. doi:10.1002/adsc.201000482.
  12. ^ A. J. Edwards and G. R. Jones. J. Chem. Soc. A, 1467 (1969)