7787-58-8

Basic information

• Product Name: Bismuth(III) bromide
• Synonyms: Bismuthbromide (BiBr3) (6CI,7CI,8CI);Bismuth tribromide;Bismuth(III) bromide;Tribromobismuthine
• CAS NO: 7787-58-8
• Molecular Formula: BiBr₃
• Molecular Weight: 448.69
• EINECS: 232-121-1
• Mol File: 7787-58-8.mol

Chemical Properties

• Melting Point: 218℃
• Boiling Point: 453 °C
• Flash Point: 453°C
• Appearance: Light yellow-gray crystals or crystalline powder
• Density: 5.7 g/mL at 25 °C(lit.)
• CAS DataBase Reference: Bismuth(III) bromide(CAS DataBase Reference)
• NIST Chemistry Reference: Bismuth(III) bromide(7787-58-8)
• EPA Substance Registry System: Bismuth(III) bromide(7787-58-8)

Safety Data

• Hazardous Substances Data: 7787-58-8(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
Bismuth(III) bromide is used as a reagent for various organic synthesis processes. Its strong Lewis acidic properties make it a valuable catalyst in the formation of carbon-carbon and carbon-heteroatom bonds, facilitating a wide range of chemical reactions.
Used in Chemical Research:
Due to its unique properties, Bismuth(III) bromide is used as a research tool in the field of chemistry. It helps scientists understand the behavior of Lewis acids and their role in various chemical reactions, contributing to the development of new synthetic methods and materials.
Used in Material Science:
Bismuth(III) bromide's ability to conduct electricity and its solubility in various solvents make it a potential candidate for the development of new materials with specific electronic properties. It can be used in the synthesis of conductive polymers or as a component in the fabrication of electronic devices.
Used in Pharmaceutical Industry:
Bismuth(III) bromide's corrosive nature and reactivity with other chemicals make it a potential candidate for the synthesis of certain pharmaceutical compounds. It can be used as an intermediate in the production of drugs that require the formation of complex molecular structures.
Note: Due to the sensitivity and potential reactivity of Bismuth(III) bromide, it is essential to handle and store it with extreme care to prevent any hazardous reactions. Proper safety measures and protocols should be followed during its use in any application.

InChI:InChI=1/Bi.3BrH/h;3*1H/q+3;;;/p-3

Upstream product

• 7726-95-6 bromine 
• 1304-76-3 bismuth(III) oxide 
• 558-13-4 carbon tetrabromide 
• 46140-16-3 bismuth(III) nitrate 
• 7440-69-9 bismuth 
• 7789-33-5 iodine(I) bromide 
• 10035-10-6 hydrogen bromide 
• 12640-40-3 bismuth(II) oxide 
• 14794-86-6 bismuth bromide sulfide 
• 82783-70-8 tetramethyldibismuthane 
• 7787-57-7 bismuth oxobromide 
• 123778-13-2 BiBr₃*(C₂H₅)2O 

Downstream Products

• 871810-89-8 (1-benzyloxycarbonyl-(4S)-cyclobutoxy-(2S)-pyrrolidinyl)carboxylic acid methyl ester 
• 7440-69-9 bismuth 
• 603-33-8 triphenylbismuthane 
• 39110-02-6 dibromophenylbismuthane 
• 39248-62-9 diphenylbismuthanyl bromide 
• 7787-61-3 bismuth(III) fluoride 
• 7789-65-3 selenium tetrabromide 
• 34422-57-6 tris(pentafluorophenyl)bismuth 
• 861309-46-8 (p-ClC₆H₄)2BiBr 
• 34176-65-3 o-CH₃C₆H₄BiBr₂ 
• 5142-75-6 tri(p-tolyl)bismuth 
• 617-77-6 triethylbismuth 
• 593-91-9 trimethylbismuthine 
• 7787-57-7 bismuth oxobromide 

Relevant articles and documents

Metal-organic supramolecular assemblies generated from bismuth(III) bromide and polyimine ligands

Three new BiBr3 supramolecular complexes, [Bi2(3-bpdb)2Br8]·(3-H2bpdb) (1), [Bi2(3-Hbpdh)2Br8] (2) and [Bi2(4-bpdh)Br9]·3(4-Hbpdh) (3) {3-bpdb =

Electronic structure, galvanomagnetic and magnetic properties of the bismuth subhalides Bi4I4 and Bi4Br4

Two bismuth-rich subhalides, Bi4Br4 and Bi4I4, featuring extended quasi one-dimensional metallic fragments in their structures, have been investigated. The gas-phase technique of crystal growth has been refined for obtaining large (up to 5 mm long) single crystals. Electronic structure calculations on three-dimensional structures of both compounds have been performed (DFT level, hybrid B3LYP functional), predicting a semiconducting behavior for both compounds, with an indication of possible directional anisotropy of electric conductivity. Galvanomagnetic (resistance, magnetoresistance, Hall effect, thermopower) and magnetic (temperature and field dependence of magnetization) properties have been measured experimentally. Both compounds are found to be diamagnetic, room-temperature semiconductors with n-type conductivity. While Bi4Br4 demonstrates a typical case of one dimensionality, the difference in magnetoresistivity between Bi4Br4 and Bi4I4 indicates some weak interactions between isolated bismuth metallic fragments within the bismuth substructures.

Synthesis and structures of novel ring compounds of bismuth with tris(trimethylsilyl)silyl and -stannyl substituents - [(Me3Si)3Si]4Bi4 and [(Me3Si)3Sn]6Bi8

A bicyclo[3.3.0]octane-like core consisting of eight bismuth atoms is found in the novel octabismuthane Bi8[Sn(SiMe3)3]6. It is prepared like Bi4[Si(SiMe3)3]4 by reduction of BiBr3 with Li(thf)3E(SiMe3)3 (E = Si, Sn) together with (Me3Si)6E2. Both bismuth ring compounds have been characterized by single crystal X-ray crystallography.

Syntheses, crystal structures, and triple twinning of the cluster trimers Bi2[PtBi6Br12]3 and Bi 2[PtBi6I12]3

Melting reactions of Bi with Pt and BiX3 (X = Br, I) yield shiny black, air insensitive crystals of the subhalides Bi2[PtBi 6X12]. Bi2[PtBi6Br 12]3 crystallizes in the monoclinic space group C2/m with lattice parameters a = 1617.6(2) pm, b = 1488.5(1) pm, c = 1752.4(2) pm, and β = 110.85(4)°. Bi2[PtBi6I12] 3 adopts the triclinic space group C1 with pseudo-monoclinic lattice parameters a = 1711.2(2) pm, b = 1585.1(1) pm, c = 1865.7(2) pm, and α = 90°, β = 111.15(4)°, γ = 90°. The two homoeotypic compounds consist of cuboctahedral [Pt-IIBiII 6X-I12]2- clusters that are concatenated into linear trimers by BiIII atoms. The ordered distribution of BiIII atoms destroys the inherent threefold rotation axes in the packing of cluster anions. As a consequence of the pseudosymmetry the crystals are triple twinned along [201]. Due to different orientations of the cluster trimers there are two BiII·X inter-cluster bridges per BiII atom in Bi2[PtBi6Br 12]3 but only one bridge in Bi2[PtBi 6I12]3. The structure of the iodine compound can be deduced from the NaCl structure type, leaving 37 of 96 atomic positions unoccupied. The arrangement of the cuboctahedral clusters follows the motif of a body-centered cubic packing.

Structure and bonding in chloro- and bromobismuthate(III) clusters (BiX4-, Bi2X93-, BiX63-) by NQR spectroscopy

The structural aspects of difficultly characterized halobismuthate(III) salts have been probed by using chlorine and bromine NQR spectroscopy. The presence of bridging and terminal halogen atoms is clearly evident in BiX4- and Bi2X93- salts, X = Cl, Br. Some BiX63- salts contain discrete regular octahedral anions while others show evidence of bridging, or at least strongly associated, halogen atoms. The Raman spectra of these salts yield less decisive structural information than do the NQR spectra. General trends in ionicity as a function of the net charge on the structural unit are apparent in the NQR data now available for BiBr2+, BiBr3, BiBr4-, and BiBr63- and BiCl3, BiCl4-, and BiCl63-. The bonding trend in M2X93-, M = Tl, Sb, Bi, is dominated by the effect of the ns2 electron pair in the Sb and Bi.

Homologous silver bismuth chalcogenide halides (N, x)P. I. syntheses and crystal structures of the (0, 1)P compound AgBi 2S2Cl3 and of three members of the (1, x)P solid solution series Ag2xBi4-2xS 6-4xBr4x

AgBi2S2Cl3 and three members of the Ag2xBi4-2xS6-4xBr4x solid solution (x = 0.50 (I), x = 0.64 (II), and x = 0.73 (III)) were synthesized from Bi 2S3, AgX and BiSX (X = Cl, Br) at 720 K. X-ray diffraction on single crystals revealed that the compounds crystallize in the monoclinic space groups C2/m (No. 12) with a = 1257.3(3), b = 400.0(1), c = 804.1(2) pm, β = 111.0(1)° for AgBi2S2Cl3, a = 1331.3(5), b = 408.0(2), c = 972.0(3) pm, β = 90.8(1)° for (I), a = 1328.9(4), b = 408.5(1), c = 973.4(4) pm, β = 90.9(1)° for (II), and a = 1332.4(3), b = 409.3(1), c = 974.3(2) pm, β = 90.4(1)° for (III). AgBi2S2Cl3 adopts a variant of the InBi 2S4Cl structure type, the isostructural compounds (I), (II) and (III) are related to the orthorhombic FeUS3 type. All four compounds belong to homologous series with general formula [BiSA] 2·[AgxBi1-xS2-2xX 2x-1]N+1 (X = Cl, Br), which resemble minerals of the pavonite series. They are characterized by the parameters N and x and are denoted (N, x)P. In the crystal structures, two kinds of layered modules, A and B, alternate. Modules of type B are composed of chains of edge-sharing [MBr4Z2] octahedra (M = Ag/Bi; X = Cl, Br; Z = S/X) and vary in thickness N. Modules of type A uniformly consist of rows of paired monocapped trigonal prisms around Bi atoms with [MS4Z 2] octahedra around mixed-occupied metal positions (M = Ag/Bi) between them. Ag-Bi2S2Cl3 comprises modules of type A only (N = 0) and is the silver-rich end-member (x = 1) in the series (0, x)P. (I) to (III) belong to the (1, x)P series with B modules of thickness N = 1. Calculations of the electronic band structures indicate that the compounds should act as indirect semiconductors with band gaps between 1.5 and 0.6 eV.

N-Heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction

The reactivity of the heavier group 15 tribromides, SbBr3 and BiBr3, towards 1,3-bis(2,6-diisopropylphenyl)-imidazol-2-ylidene (IPr) is described. These reactions quantitatively afford Lewis acid-base adducts, (IPr)EBr3 (E = Sb 1; Bi 2), which readily react with AlBr3 yielding cationic species [(IPr)EBr2]+ (E = Sb 3; Bi 4). Under thermal treatment, the N-heterocyclic carbene ligands in 1 and 2 will readily isomerise to afford the abnormally-bonded (or mesoionic) complexes (aIPr)EBr3 (E = Sb 5; Bi 6). As with 1 and 2, bromide abstraction from such compounds readily affords the cationic complexes [(aIPr)EBr2]+ (E = Sb 7; Bi 8). Finally, in an effort to elucidate the isomerisation process which allows for the conversion of 1 and 2 to the abnormally bonded systems (compounds 5 and 6), compound 1 was reacted with a further equivalent of IPr to afford the cationic species [(aIPr)2SbBr2]+ (9). This strongly suggests that the normal to abnormal isomerisation of the N-heterocylic carbene ligands in compounds 1 and 2 is mediated by the presence of free IPr. Compound [9]Br can be used to access the dicationic species [(aIPr)2SbBr]2+ (10), which we have identified spectroscopically. Single crystal X-ray structures and spectroscopic data for all compounds are discussed.

Trapping molecular bromine: A one-dimensional bromobismuthate complex with Br2 as a linker

The reaction between solid (NMP)n{[BiBr4]}n (1) (NMP = N-methylpyridinium) and Br2, generated in situ in HBr solution, results in the formation of (NMP)3[Bi2Br9]·Br2 (2). In the structure of 2, dibromine molecules connect discrete binuclear [Bi2Br9]3- anions into an extended network. Complex 2 is thermally stable (up to 150 °C).

Bi37InBr48: A polar subhalide with Bi95+ polycations, complex bromobismuthate(III) anions [Bi3Br13]4- and [Bi7Br30]9-, and pentabromoindate(III) anions [InBr5]2-

Black crystals of Bi37InBr48 were synthesized from bismuth, indium and BiBr3 by cooling stoichiometric melts from 570 K to 470 K. X-ray diffraction on powders and single-crystals revealed that the compound crystallizes with space group P 63 (a = 2262.6(4); c = 1305.6(2) pm). The Bi95+ polycations in the polar crystal structure have the shape of heavily distorted tricapped trigonal prisms with approximate Cs symmetry. The high complexity of the structure results from three coexisting types of anionic groups: Three edge-sharing [BiBr6] octahedra constitute the trigonal bromobismuthate(III) anion [Bi3Br13]4-. Four [BiBr6] and three [BiBr5] polyhedra share common vertices to form the [Bi7Br30]9- hemi-sphere, in which the trigonal bipyramid of the pentabromoindat(III) ion [InBr5]2- is embedded.

Lewis-acid-base-reactions of gold trihalides with bismuth trihalides - Synthesis and structures of AuBiX6 (X = Cl, Br)

Gold trihalides AuX3 (X = Cl, Br) react with bismuth trihalides in sealed glass ampoules to the 1:1 adducts AuBiX6 (X = Cl, Br). AuBiCl6 is obtained by a chemical transport reaction at 220 °C, whereas AuBiBr6 was synthesized by solvothermal reaction in SiBr4 at 1.50 °C. Both compounds crystallize triclinic, space group P1?, Z = 4, AuBiCl6: a = 698.3(4) pm; b = 1009.3(5) pm; c = 1381(1) pm; α = 104.98(5)○; β = 94.73(5)○; γ = 110.06(3)○; V = 867(1) · 106 pm3. AuBiBr6: a = 735.7(4) pm; b = 1055.7(5) pm; c = 1445(1) pm; α = 104.88(5)○; β = 94.25(5)○; γ = 110.18(4)○; V = 1001(1) · 106 pm3. The structures are build formally of square-planar [AuX4]- and chains of edge-connected ([BiX4/2]+)n units. Since each Bi ion is surrounded by eight halogenide ions in a square-antiprismatic form, the structure can alternatively be described as consisting of chains of edge sharing ([BiX4X4/2]3-)n antiprisms connected by Au3+ ions.