Basic information
- Standard SMILES
O=P(Br)(Br)Br- InChIKey
UXCDUFKZSUBXGM-UHFFFAOYSA-N- Molecular formula
- Br3OP
- Average molar mass
- 286.69 g/mol
- Monoisotopic mass
- 283.72368755
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
Show more names
Database identifiers
- CAS
7789-59-5- PubChem CID
- 24613
- DTXSID
DTXSID2064868- UNII
- H98H8Y87QQ
- EC Number
- 232-177-7
- Nikkaji
- J95.146C
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
Density
greater than 1 (NOAA, 2007)
2.822
Color/Form
COLORLESS CRYSTALS
THIN PLATES, FAINT ORANGE TINT
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.
Colorless solid; [Hawley] Light brown solid; [MSDSonline]
Other Experimental Properties
SLOWLY HYDROLYZES IN WATER FORMING PHOSPHORIC ACID & HYDROGEN BROMIDE; AT 758 MM HG IT BOILS AT 193 °C WITH DECOMPOSITION
DECOMPOSES IN COLD WATER
Physicochemical properties
- Melting point
- 56 °C · 56 °C(lit.)
- Boiling point
- 192 °C · 192 °C(lit.)
- Density
- 2.82 g/mL · 2.82 g/mL at 25 °C(lit.)
- Flash point
- 189 °C · 189°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O; · reacts with H2O; soluble in benzene, ethyl ether,chloroform
- form
- Lump
- Specific Gravity
- 2.822 · 2.822
- color
- White to yellow
- Water Solubility
- decomposes
- Specific Heat Capacity
- 0.31 J/ · Cp(gas): 0.31 J/(g·K), at 25℃
- Sensitive
- Moisture Sensitive
- Merck
- 14 · 14,7348
- InChI
- 1S/Br3OP/c1-5(2,3)4
- InChIKey
- UXCDUFKZSUBXGM-UHFFFAOYSA-N
- SMILES
- BrP(Br)(Br)=O
- CAS DataBase Reference
- 7789 · 7789-59-5(CAS DataBase Reference)
- FDA UNII
- 98 H8Y87QQ · H98H8Y87QQ
- NIST Chemistry Reference
- Phosphorus tribromide oxide(7789-59-5)
- EPA Substance Registry System
- Phosphoric tribromide (7789-59-5)
- UNSPSC Code
- 12352307 · 12352307
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P405-P501
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 14 · 14-34-37
- Safety Statements
- 26 · 26-36/37/39-43-45-7/8-Neverusewater.
- RIDADR
- 1939 · UN 1939 8/PG II (PHOSPHORUS OXYBROMIDE)
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 28129090 · 28129090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Hazardous Substances Data
- 7789 · 7789-59-5(Hazardous Substances Data)
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
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
Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24309
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.)
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.
Hazards Summary
Highly reactive with organic materials; A strong skin and tissue irritant; [Hawley] May cause fire on contact with organic substances; Corrosive to tissue; [CAMEO] Corrosive to skin and eyes; [eChemPortal: ERMA] Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
DOT ID and Guide
1939 137
2576 137
Reactivity Profile
PHOSPHORUS OXYBROMIDE is incompatible with water, strong oxidizing agents, alcohols, bases, including amines. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Emergency Guidelines
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Health: CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns, or death. Fire will produce irritating, corrosive and/or toxic gases. Reaction with water may generate much heat which will increase the concentration of fumes in the air. Contact with molten substance may cause severe burns to skin and eyes. Runoff from fire control or dilution water may cause pollution. /Phosphorus oxybromide; Phosphorus oxybromide, molten; Phosphorus oxybromide, solid/
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Fire or Explosion: ... Some of these materials may burn, but none ignite readily. May ignite combustibles (wood, paper, oil, clothing, etc.). Substance will react with water (some violently), releasing corrosive and/or toxic gases. Flammable/toxic gases may accumulate in confined areas (basement, tanks, hopper/tank cars etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. Substance may be transported in a molten form. /Phosphorus oxybromide; Phosphorus oxybromide, molten; Phosphorus oxybromide, solid/
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75) feet for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Phosphorus oxybromide; Phosphorus oxybromide, molten; Phosphorus oxybromide, solid/
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Phosphorus oxybromide; Phosphorus oxybromide, molten; Phosphorus oxybromide, solid/
For more DOT Emergency Guidelines (Complete) data for PHOSPHORUS OXYBROMIDE (8 total), please visit the HSDB record page.
DOT Hazard Classification
Phosphorus oxybromide
UN1939
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Phosphorus oxybromide, molten
UN2576
Safety & protection
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.
First Aid
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
General First Aid:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
· Wear positive pressure self-contained breathing apparatus (SCBA).
Storage Conditions
...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, &...PERIODICALLY INSPECTED & MONITORED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED...
STORE IN SEALED GLASS AMPULES.
Isolation and Evacuation
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
Immediate precautionary measure
Immediate precautionary measure
Emergency Response Planning Guidelines
· When material is not involved in fire, do not use water on material itself.
· When material is not involved in fire, do not use water on material itself.
Toxicology
Human Toxicity Excerpts
SYMPTOMATOLOGY (...INGESTION OR SKIN CONTACT): 1. CORROSION OF MUCOUS MEMBRANES OF MOUTH, THROAT...ESOPHAGUS, WITH...PAIN & DYSPHAGIA. NECROTIC AREAS...GRAYISH WHITE BUT SOON...BLACKISH DISCOLORATION (YELLOW IN CASE OF NITRIC ACID) & SOMETIMES SHRUNK OR WRINKLED TEXTURE. 2. EPIGASTRIC PAIN...MAY BE ASSOC WITH NAUSEA & VOMITING...INTENSE THIRST. 3. CIRCULATORY COLLAPSE...CLAMMY SKIN, WEAK & RAPID PULSE, SHALLOW RESP...SCANTY URINE. ...SHOCK IS OFTEN...CAUSE OF DEATH. 4. ASPHYXIAL DEATH DUE TO GLOTTIC EDEMA. /ACIDS/
SYMPTOMATOLOGY.../INGESTION/: 5. ULCERATION OF ALL MEMBRANES & TISSUES WITH WHICH ACID COMES IN CONTACT. ULCERATED AREAS OFTEN PERFORATE, LEADING TO MEDIASTINITIS & PERITONITIS. 6. LATE ESOPHAGEAL, GASTRIC & PYLORIC STRUCTURES & STENOSIS...MAY REQUIRE...SURGICAL REPAIR, SHOULD BE ANTICIPATED. PERMANENT SCARS MAY...APPEAR IN CORNEA, SKIN & OROPHARYNX. 7. UNCORRECTED CIRCULATORY COLLAPSE OF SEVERAL HR...MAY LEAD TO RENAL FAILURE & ISCHEMIC LESIONS IN LIVER & HEART. /ACIDS/
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2576 8/PG II (PHOSPHORUS OXYBROMIDE, MOLTEN)
- hs_code
- 28129090
- risk_code
- 14-34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-43-45-7/8-Neverusewater.
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P405-P501
- Hazardous Substances Data
- 7789-59-5(Hazardous Substances Data)
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).
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.
Preparation methods
PreparationPhosphorus oxychloride method: take phosphorus oxychloride as raw material and aluminum trichloride as the catalyst, upon heating at about 80 ℃, introduce hydrogen bromide gas for reaction, generating tribromo phosphorus. The reaction is: POC13 + 3HBr → POBr3 + 3HCl ↑ The produced hydrogen chloride gas during the reaction, after being absorbed by water, can produce dilute hydrochloric acid. Phosphorus tribromide method: to a round bottom flask equipped with a reflow condenser, add the mixture of phosphorus pentabromide and phosphorus pentoxide (250 g of PBr5/about 30 g of P2O5) and heat slowly to 150 ° C. Phosphorus pentoxide is a bit more than the phosphorus pentabromide in stoichiometry. At this time, one the one hand, pay attention to expel the bromine out; on the other hand, make sure that the reaction is completed within 5h. Then, 10 g of bromine and equivalent amount of phosphorus pentoxide were added to the melt and refluxed at 150 ° C for several hours. This is because it takes time for the intermediate product, phosphorus tribromide, to be oxidized to phosphorus pentabromide and transited to tribromonic phosphorus. The resultant was subjected to vacuum distillation under reduced pressure. After removing the initial distillate and the phosphorus tribromide contained therein, the trapping was carried out. The receiver is cooled with ice brine to generate tribromo phosphorus. Its reaction is: 3PBr5 + P2O5 → 5POBr3
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
Loading…