Phosphoryl bromide

Phosphoryl bromide
Names
	Other names Phosphorus oxybromide
Identifiers
CAS Number	7789-59-5 ;
3D model (JSmol)	Interactive image;
ChemSpider	23015;
ECHA InfoCard	100.029.252
EC Number	232-177-7;
PubChem CID	24613;
UNII	H98H8Y87QQ ;
UN number	1939 2576
CompTox Dashboard (EPA)	DTXSID2064868 ;
	InChI InChI=1S/Br3OP/c1-5(2,3)4 Key: UXCDUFKZSUBXGM-UHFFFAOYSA-N; InChI=1/Br3OP/c1-5(2,3)4 Key: UXCDUFKZSUBXGM-UHFFFAOYAH;
	SMILES O=P(Br)(Br)Br;
Properties
Chemical formula	POBr3
Molar mass	286.69 g/mol
Density	2.82 g cm−3
Melting point	56 °C (133 °F; 329 K)
Boiling point	192 °C (378 °F; 465 K)
Structure[1]
Space group	Pn21a, No. 33
Lattice constant	a = 9.467 Å, b = 9.938 Å, c = 6.192 Å
Formula units (Z)	4
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H290, H314, H335
Precautionary statements	P234, P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P390, P403+P233, P404, P405, P501
Related compounds
Related compounds	Phosphorus tribromide ; Thiophosphoryl bromide ; Phosphoryl fluoride ; Phosphoryl chloride
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Phosphoryl bromide, also known as phosphorus oxybromide, is an inorganic compound with the formula POBr₃.

Preparation

Phosphoryl bromide is prepared by the reaction between phosphorus pentabromide and phosphorus pentoxide:[2][3]

3 PBr₅ + P₂O₅ → 5 POBr₃

It can also be prepared via the slow addition of liquid bromine to phosphorus tribromide at 0 °C, followed by the slow addition of water and vacuum distillation of the resulting slurry.

Structure and properties

Phosphoryl bromide forms colorless crystals or thin plates with a faint orange tint.[4] Its crystals belong to the orthorhombic space group Pnma,[5] with intermolecular Br–O bridges creating infinite chains within the structure. The intermolecular bonding causes distortions from the C_3v symmetry found in the free molecule.[1]

It reacts violently with water, forming phosphoric acid and hydrobromic acid. It is soluble in ether, benzene, chloroform, carbon disulfide, and concentrated sulfuric acid.[4] It is stored in sealed glass ampoules.

References

Olie, K.; Mijlhoff, F. C. (1969-05-01). "The crystal structure of POBr 3 and intermolecular bonding". Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 25 (5): 974–977. doi:10.1107/S056774086900327X. ISSN 0567-7408.
Hönigschmid, O.; Hirschbold‐Wittner, F. (1940). "Das Atomgewicht des Phosphors. Analyse des Phosphoroxybromids". Zeitschrift für anorganische und allgemeine Chemie (in German). 243 (4): 355–360. doi:10.1002/zaac.19402430406. ISSN 1521-3749.
Booth, Harold S.; Seegmiller, C. G.; Baker, Philip S.; Wexler, Sol; Johnson, Roy D. (2007-01-05), Fernelius, W. Conard (ed.), "Phosphorus(V) Oxybromide: (Phosphoryl Tribromide)", Inorganic Syntheses, Hoboken, NJ, USA: John Wiley & Sons, Inc., pp. 151–152, doi:10.1002/9780470132333.ch44, ISBN 978-0-470-13233-3, retrieved 2020-09-30
Perry, Dale L. (2011). Handbook of Inorganic Compounds (2nd ed.). Boca Raton: Taylor & Francis. p. 310. ISBN 978-1-4398-1461-1. OCLC 587104373.
Okuda, Tsutomu.; Hosokawa, Kazuto.; Yamada, Koji.; Furukawa, Yoshihiro.; Negita, Hisao. (1975). "Structural study of phosphoryl bromide by means of nuclear quadrupole resonance". Inorganic Chemistry. 14 (5): 1207–1209. doi:10.1021/ic50147a048. ISSN 0020-1669.

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[crystalstruct-1] Olie, K.; Mijlhoff, F. C. (1969-05-01). "The crystal structure of POBr 3 and intermolecular bonding". Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 25 (5): 974–977. doi:10.1107/S056774086900327X. ISSN 0567-7408.

[2] Hönigschmid, O.; Hirschbold‐Wittner, F. (1940). "Das Atomgewicht des Phosphors. Analyse des Phosphoroxybromids". Zeitschrift für anorganische und allgemeine Chemie (in German). 243 (4): 355–360. doi:10.1002/zaac.19402430406. ISSN 1521-3749.

[3] Booth, Harold S.; Seegmiller, C. G.; Baker, Philip S.; Wexler, Sol; Johnson, Roy D. (2007-01-05), Fernelius, W. Conard (ed.), "Phosphorus(V) Oxybromide: (Phosphoryl Tribromide)", Inorganic Syntheses, Hoboken, NJ, USA: John Wiley & Sons, Inc., pp. 151–152, doi:10.1002/9780470132333.ch44, ISBN 978-0-470-13233-3, retrieved 2020-09-30

[perry-4] Perry, Dale L. (2011). Handbook of Inorganic Compounds (2nd ed.). Boca Raton: Taylor & Francis. p. 310. ISBN 978-1-4398-1461-1. OCLC 587104373.

[5] Okuda, Tsutomu.; Hosokawa, Kazuto.; Yamada, Koji.; Furukawa, Yoshihiro.; Negita, Hisao. (1975). "Structural study of phosphoryl bromide by means of nuclear quadrupole resonance". Inorganic Chemistry. 14 (5): 1207–1209. doi:10.1021/ic50147a048. ISSN 0020-1669.