PBr3

Phosphorus tribromide · Phosphorus(III) bromide

Phosphorus tribromide is a stable chemical compound primarily used as a reagent to introduce bromine into organic molecules.

BrP
Crystal structure of PBr3
Ground-state structure · Materials Project
Overview

About Phosphorus tribromide

Phosphorus tribromide is a thermodynamically stable inorganic compound characterized by its insulating electronic properties. It exists as a molecular species that serves as a critical reagent in chemical transformations, particularly those involving the conversion of alcohols to alkyl bromides.

Due to its high reactivity as a brominating agent, it is an essential tool in synthetic laboratories. Its role is defined by its ability to facilitate specific functional group modifications, making it a staple in the production of fine chemicals and pharmaceutical intermediates.

At a glance

Key Properties

Cross-validated computational properties for Phosphorus tribromide, aggregated across 3 databases.

Band Gap

3.34 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

34
3 databases, 12 space groups
Uses

Applications

Where Phosphorus tribromide is used.

Organic synthesisBromination of alcoholsProduction of pharmaceutical intermediatesFine chemical manufacturing
Reference

Frequently Asked Questions

Common questions about Phosphorus tribromide, answered from cross-validated data.

What is PBr3?

Phosphorus tribromide is a stable chemical compound primarily used as a reagent to introduce bromine into organic molecules.

More questions
What is PBr3 used for?
Phosphorus tribromide (PBr3) is used in organic synthesis, bromination of alcohols, production of pharmaceutical intermediates, and fine chemical manufacturing.
What is the band gap of PBr3?
Phosphorus tribromide (PBr3) has a DFT-computed band gap of 3.34 eV across 34 reported structures.
Is PBr3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.34 eV it is an insulator / wide-band-gap material.
Is PBr3 thermodynamically stable?
Yes — Phosphorus tribromide (PBr3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of PBr3 are known?
34 structures of PBr3 are reported across 3 databases, spanning 12 distinct space groups.
What elements does PBr3 contain?
Phosphorus tribromide (PBr3) contains Br and P (2 elements).
Where does the data for PBr3 come from?
PBr3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone member of its chemical class in this context, phosphorus tribromide represents a fundamental example of a stable phosphorus-halogen compound. It is highly regarded for its predictable reactivity and structural integrity, serving as a benchmark for synthetic utility in organic chemical processes.

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

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