BrF3

Bromine trifluoride · Bromine(III) fluoride

Bromine trifluoride is a reactive interhalogen compound used primarily as a powerful fluorinating agent and solvent in specialized chemical industrial applications.

BrF
Crystal structure of BrF3
Ground-state structure · Materials Project
Overview

About Bromine trifluoride

Bromine trifluoride is a highly reactive interhalogen compound that exists as a thermodynamically stable phase. Its electronic character is classified as semiconducting, distinguishing it from simpler halides and making it a unique subject of study in inorganic chemistry.

Due to its significant chemical reactivity, this compound serves as a powerful fluorinating agent in various industrial and laboratory settings. It is widely recognized for its ability to act as a non-aqueous solvent and a reagent in the processing of nuclear materials.

At a glance

Key Properties

Cross-validated computational properties for Bromine trifluoride, aggregated across 3 databases.

Band Gap

2.21 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

46
3 databases, 12 space groups
Uses

Applications

Where Bromine trifluoride is used.

Fluorinating agentNon-aqueous solventNuclear fuel processingProduction of uranium hexafluoride
Reference

Frequently Asked Questions

Common questions about Bromine trifluoride, answered from cross-validated data.

What is BrF3?

Bromine trifluoride is a reactive interhalogen compound used primarily as a powerful fluorinating agent and solvent in specialized chemical industrial applications.

More questions
What is BrF3 used for?
Bromine trifluoride (BrF3) is used in fluorinating agent, non-aqueous solvent, nuclear fuel processing, and production of uranium hexafluoride.
What is the band gap of BrF3?
Bromine trifluoride (BrF3) has a DFT-computed band gap of 2.21 eV across 46 reported structures.
Is BrF3 a metal, semiconductor, or insulator?
With a band gap up to 2.21 eV it is a semiconductor.
Is BrF3 thermodynamically stable?
Yes — Bromine trifluoride (BrF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BrF3 are known?
46 structures of BrF3 are reported across 3 databases, spanning 12 distinct space groups.
What elements does BrF3 contain?
Bromine trifluoride (BrF3) contains Br and F (2 elements).
Where does the data for BrF3 come from?
BrF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a prominent interhalogen compound, bromine trifluoride occupies a specialized niche in chemical synthesis, distinguished by its high reactivity and ability to act as a strong fluorinating agent compared to more inert halogen-based materials.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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