Phosphorus oxybromide
Basic information
- CAS
7789-59-5- Standard SMILES
O=P(Br)(Br)Br- InChIKey
UXCDUFKZSUBXGM-UHFFFAOYSA-N- Molecular formula
- Br3OP
- Average molar mass
- 286.69 g/mol
- Monoisotopic mass
- 283.72369
Overview
Phosphorus oxybromide appears as a colorless crystalline solid or liquid if heated above 133 °F with a pungent odor. It is commonly heated and shipped in a molten state. Soluble in water, but, decomposed by water to hydrobromic and phosphoric acid with evolution of heat. Reacts with organic materials to cause fire. Evolves highly toxic and corrosive gases when exposed to fire. Corrosive to metals and tissue. Used to make other chemicals.
Names & identifiers
- Preferred name
- Phosphorus oxybromide
- IUPAC
- Phosphoric tribromide
- English name
- Phosphorus oxybromide
- Molecular formula
- Br3OP
- Molecular weight
- 286.69
Names & synonyms
PHOSPHORUS OXYBROMIDE7789-59-5Phosphoric tribromidePhosphoryl bromidePhosphoryl tribromideTribromophosphorus oxidePhosphorus (V) oxybromideUN1939UN2576H98H8Y87QQHSDB 1166PHOSPHONYL TRIBROMIDE
Show more names
POBr3phosphorus(v) oxybromidePHOSPHOROUS OXYBROMIDEphosphoryltribromidetribromophosphorusoxideAURORA KA-1088Formylmelphalan
EINECS 232-177-7UN2576 (molten)PHOSPHORUS BROMIDE OXIDE (PBR3O)PHOSPHORUS OXYTRIBROMIDEDTXSID2064868PHOSPHORUS OXYBROMIDE [MI]PHOSPHORUS OXYBROMIDE, SOLIDUN-1939
Database identifiers
- CAS
7789-59-5- PubChem CID
- 24613
- DTXSID
DTXSID2064868- UNII
- H98H8Y87QQ
- EC Number
- 232-177-7
- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 53
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Halogens, Inorganic Compounds
Corrosives
SpringerMaterials PropertiesGibbs energy
Density
greater than 1 (NOAA, 2007)
2.822
Color/Form
COLORLESS CRYSTALS
THIN PLATES, FAINT ORANGE TINT
SolubilitySOL IN ETHER, BENZENE, CHLOROFORM, CARBON DISULFIDE, CONCENTRATED SULFURIC ACID
Boiling PointAT 758 MM HG IT BOILS AT 193 °C WITH DECOMPOSITION
DecompositionWHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES OF BROMIDES & PO(X).
Melting Point
133 °F (NOAA, 2007)
56 °C (IN HOT WATER)
Physical Description
Phosphorus oxybromide appears as a colorless crystalline solid or liquid if heated above 133 °F with a pungent odor. It is commonly heated and shipped in a molten state. Soluble in water, but, decomposed by water to hydrobromic and phosphoric acid with evolution of heat. Reacts with organic materials to cause fire. Evolves highly toxic and corrosive gases when exposed to fire. Corrosive to metals and tissue. Used to make other chemicals.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (13%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphoryl bromide
REACH registered substance: Phosphoryl tribromide (EC: 232-177-7)
Phosphoryl bromide: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.
· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.
Health Hazards
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Chemistry & industry
Uses & manufacturing
Uses
Used as chemical intermediate; [Hawley]
PRINCIPALLY USED AS CHEM INTERMEDIATE
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
(1972) No Data
(1975) No Data
Methods of Manufacturing
REACTION OF PHOSPHORUS PENTABROMIDE & PHOSPHORUS PENTOXIDE
REACTION OF PHOSPHORUS PENTABROMIDE AND PHOSPHORUS PENTOXIDE: HONIGSCHMID, HIRSCHBOLD-WITTNER; Z ANORG ALLGEM CHEM 243: 355 (1940); JOHNSON, NUNN; J AM CHEM SOC 63: 141 (1941); BOOTH, SEEGMILLER; INORG SYN 2: 151 (1946).
General Manufacturing InformationPhosphoric tribromide: ACTIVE
Applications
UsesPhosphorus(V) Oxybromide is a reagent used in the preparation of phosphoryl halide for N-protection of amino acids using group assisted purification (GAP). Phosphorus(V) Oxybromide is a brominating agent.
UsesPhosphorus(V) oxybromide may be used as brominating reagent in the synthesis of 2,4,6-tribromopyrimidine. It may be used in the preparation of bromoheterocyclic compounds.
General DescriptionA colorless crystalline solid or liquid if heated above 133° F with a pungent odor. Phosphorus oxybromide is commonly heated and shipped in a molten state. Soluble in water, but, decomposed by water to hydrobromic and phosphoric acid with evolution of heat. Reacts with organic materials to cause fire. Evolves highly toxic and corrosive gases when exposed to fire. Corrosive to metals and tissue. Used to make other chemicals.
Related reactions
551 records
Compound notes
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