Zirconium(IV) bromide

Zirconium(IV) bromide  Names

Other names

zirconium tetrabromide

Identifiers

CAS Number

* 13777-25-8 N

3D model (JSmol)

* Interactive image

ChemSpider |

* 75549 Y

EC Number |

* 237-417-4

PubChem CID

* 83727

InChI

* InChI=1S/4BrH.Zr/h4*1H;/q;;;;+4/p-4 Y

Key: LSWWNKUULMMMIL-UHFFFAOYSA-J Y

* InChI=1/4BrH.Zr/h4*1H;/q;;;;+4/p-4

Key: LSWWNKUULMMMIL-XBHQNQODAM

SMILES

* Br[Zr](Br)(Br)Br

Properties

Chemical formula

| ZrBr4
Molar mass | 410.86 g/mol
Appearance  | off-white powder
Density | 4.201 g/cm3, solid
Melting point |  450 °C (842 °F; 723 K)
Boiling point | sublimes

Solubility in water

| reacts with water
Structure

Crystal structure

| Cubic, cP40

Space group

| P-43m, No. 205
Hazards
GHS pictograms |
GHS Signal word | Danger

GHS hazard statements

| H314

GHS precautionary statements

| P260, P264, P280, P301+330+331, P303+361+353, P304+340, P305+351+338, P310, P321, P363, P405, P501
NFPA 704 (fire diamond)  |

Related compounds

Other anions

| Zirconium(IV) fluoride
Zirconium(IV) chloride
Zirconium(IV) iodide

Other cations

| Titanium tetrabromide
Hafnium tetrabromide

Related compounds

| Zirconium(III) bromide

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

N verify (what is YN ?)
Infobox references

Zirconium(IV) bromide is the inorganic compound with the formula ZrBr4. This colourless solid is the principal precursor to other Zr–Br compounds.

## Preparation and properties

ZrBr4 is prepared by the action of bromine on zirconium oxide via a carbothermic reaction:[1]

ZrO2 \+ 2 C + 2 Br2 → ZrBr4 \+ 2 CO

Like many related tetrahalides, it is purified by sublimation.

It can also be prepared by treatment of the borohydride complex with hydrogen bromide:[2]

Zr(BH4)4 \+ 4 HBr → ZrBr4 \+ 4 H2 \+ 2 B2H6

Like related tetrabromides of Ti and Hf, ZrBr4 hydrolyzes readily to give the oxybromide, with release of hydrogen bromide.

## Structure

No single crystal X-ray study of ZrBr4 has been described. Some reports suggest that it is isostructural with TiCl4 and TiBr4, featuring tetrahedral metal centers.[3] Other studies indicate a polymeric structure.[4] ZrCl4 is polymeric in the solid state, featuring octahedral Zr centers.[5]

## References

1. ↑ R. C. Young, Hewitt G. Fletcher, "Anhydrous Zirconium Tetrabromide" Inorganic Syntheses, 1939, vol. 1, pp. 49–51. doi:10.1002/9780470132326.ch18
2. ↑ Calderazzo, Fausto; Pallavicini, Piersandro; Pampaloni, Guido (1990). "Arene derivatives of zirconium(II) and hafnium(II)". Journal of the Chemical Society, Dalton Transactions (6): 1813. doi:10.1039/DT9900001813.
3. ↑ Berdonosov, S. S.; Lapitskii, A. V. (1963). "Structure of Zr and Hf Tetrabromides". Vestnik Moskovskogo Universiteta, Seriya 2: Khimiya 18: 42–4. "(from abstract): The structure was assumed to be similar to that of SnI4 ... was verified by comparing exptl. and calcd. line intensities, by using Cu K radiation for powder patterns. ... Based on the value of the radius of the I− ion, the lattice parameter and the theoretical sp. gravity of ZrI4 and HfI4 were calcd.".
4. ↑ Carter, J. C.; Smith, J. A. S. (1974). "Nuclear quadrupole resonance in hafnium and zirconium tetrabromide". Journal of the Chemical Society, Chemical Communications (20): 835–6. doi:10.1039/c39740000835.
5. ↑ A. F. Wells (1984). Structural Inorganic Chemistry. Oxford: Clarendon Press. ISBN 0-19-855370-6.

* v
* t
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Zirconium compounds

Zr(II)|

* ZrB2
* ZrH2
* ZrSi2

Zr(III)|

* ZrN
* ZrCl3

Zr(IV)|

* ZrBr4
* ZrC
* ZrCl4
* ZrF4
* ZrI4
* Zr(NO3)4
* ZrOCl2
* Zr(OH)4
* ZrO2
* ZrS2
* Zr(SO4)2
* ZrSiO4
* Zr(WO4)2

| Organozirconium(IV)|

* Zr(acac)4

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*[CID]: Compound ID
*[H314]: Causes severe skin burns and eye damage
*[P260]: Do not breathe dust/fume/gas/mist/vapours/spray
*[P264]: Wash … thoroughly after handling
*[P280]: Wear protective gloves/protective clothing/eye protection/face protection
*[P301+330+331]: IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
*[P303+361+353]: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
*[P304+340]: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
*[P305+351+338]: IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing
*[P310]: Immediately call a POISON CENTER or doctor/physician
*[P321]: Specific treatment (see … on this label)
*[P363]: Wash contaminated clothing before reuse
*[P405]: Store locked up
*[P501]: Dispose of contents/container to …
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