Encyclopedia / Other Inorganic Salts / Pharmaceutical Intermediates / Organic Intermediate

Phosphorus oxybromide

CAS：7789-59-5
MW:286.685
MF：Br3OP

Phosphorus oxybromide, with the chemical formula Br3OP and CAS registry number 7789-59-5, is a compound known for its use as a reagent in organic synthesis, particularly in the conversion of alcohols to alkyl bromides. It is a colorless to pale yellow liquid with a pungent odor, commonly utilized in the pharmaceutical and chemical industries. It has a relative density of 2.822, melting temperature of 56 °C, the boiling point of 191.7 ℃ and the evaporation heat of 38 Kj/mol. It is soluble in ether, benzene, chloroform, carbon disulfide, concentrated sulfuric acid. It can be slowly hydrolyzed to phosphoric acid and HBr in water. Phosphorus oxybromide plays a significant role in various reactions including esterifications, dehydration, and bromination processes. It is a versatile compound employed in the preparation of pharmaceutical intermediates and agrochemicals, contributing to the synthesis of numerous organic compounds. View more+

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Phosphorus oxybromide

1.2 Synonyms: Formylmelphalan; Phosphonyl tribromide; Phosphoric tribromide; Phosphorus bromide oxide (PBr3O); Phosphorus oxytribromide; Phosphorus(V) oxybro; Phosphorus(V) oxybroM; Phosphorus(V) tribromide oxide; Phosphoryl bromide; Phosphoryl bromide for synthesis; Phosphoryl tribromide; Phosphoryl TribroMide (Phosphorus oxybroMide); phosphoryltribromide; Tribromophosphorus oxide;

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1.3 CAS No.: 7789-59-5

1.4 CID: 24613

1.5 EINECS: 232-177-7

1.6 Molecular Formula: Br3OP

1.7 Inchi: InChI=1S/Br3OP/c1-5(2,3)4

1.8 InChkey: UXCDUFKZSUBXGM-UHFFFAOYSA-N

1.9 Canonical Smiles: O=P(Br)(Br)Br

1.10 Isomers Smiles: O=P(Br)(Br)Br

2. Properties

2.1 Appearance: colorless to grey-brown crystals or fused mass

2.2 Storage: Moisture Sensitive. Ambient temperatures.

2.3 Color/Form: COLORLESS CRYSTALS
THIN PLATES, FAINT ORANGE TINT

2.4 Decomposition: WHEN HEATED TO DECOMP, IT EMITS HIGHLY TOXIC FUMES OF BROMIDES & PO(X).

2.5 Physical: PHOSPHORUS OXYBROMIDE; is 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.

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2.6 Water Solubility: decomposes

3. Use and Manufacturing

3.1 Description: It appears as colorless or pale orange crystal with irritating odor. It has a relative density of 2.822, melting temperature of 56 °C, the boiling point of 191.7 ℃ and the evaporation heat of 38 Kj/mol. It is soluble in ether, benzene, chloroform, carbon disulfide, concentrated sulfuric acid. It can be slowly hydrolyzed to phosphoric acid and HBr in water.

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3.2 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 48 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H290 (18.75%): May be corrosive to metals [Warning Corrosive to Metals]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (18.75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
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, and P501

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3.3 Methods of Manufacturing: REACTION OF PHOSPHORUS PENTABROMIDE; & PHOSPHORUS PENTOXIDE;

4. Safety and Handling

4.1 Fire Hazard: EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, 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 and runoff. 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.

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4.2 Other Preventative Measures: THE BASIC VENTILATION METHODS ARE LOCAL EXHAUST AND DILUTION OR GENERAL VENTILATION.

4.3 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/
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Phosphorus oxybromide; Phosphorus oxybromide, molten; Phosphorus oxybromide, solid/
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Fire: When material is not involved in fire: do not use water on material itself. Small fires: Dry chemical or C02. Move containers from fire area if you can do it without risk. Large Fires: Flood fire area with large quantities of water, while knocking down vapors with water fog. If insufficient water supply: knock down vapors only. Fire involving tanks or car/trailer loads: Cool containers with flooding quantities of water until well after fire is out. Do not get water inside containers. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. /Phosphorus oxybromide; Phosphorus oxybromide, molten; Phosphorus oxybromide, solid/
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Spill or Leak: Fully encapsulating, vapor protective clothing should be worn for spills and leaks with no fire. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Use water spray to reduce vapors; do not put water directly on leak, spill area or inside container. Keep combustibles (wood, paper, oil, etc.) away from spilled material. Small spills: Cover with DRY earth, DRY sand, or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. Prevent entry into waterways, sewers, basements or confined areas. /Phosphorus oxybromide; Phosphorus oxybromide, molten; Phosphorus oxybromide, solid/
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Removal of solidified molten material from skin requires medical assistance. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Phosphorus oxybromide; Phosphorus oxybromide, molten; Phosphorus oxybromide, solid/

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4.4 Safety Profile: Poison by ingestion,inhalation, and shin contact. A corrosiveirritant to skin, eyes, and mucousmembranes. A corrosive material. Reactswith steam, water to produce much heatwith toxic fumes. When heated to decomposition it emits very toxic fumes ofBrand POx. See also BROMIDES. Phosphorus oxybromide Preparation Products And Raw materials Preparation Products

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4.5 Protective Equipment and Clothing: Strong irritant to skin & tissues.

4.6 Reactivities and Incompatibilities: REACTS STRONGLY WITH ORGANIC MATTER
WILL REACT WITH WATER OR STEAM TO PRODUCE TOXIC AND CORROSIVE FUMES.

4.7 Report: Reported in EPA TSCA Inventory.

4.8 Skin, Eye, and Respiratory Irritations: Strong irritant to skin & tissues.

4.9 Safety: Poison by ingestion, inhalation, and skin contact. A corrosive irritant to skin, eyes, and mucous membranes. A corrosive material. Reacts with steam, water to produce much heat with toxic fumes. When heated to decomposition it emits very toxic fumes of Br^? and PO_x.
Hazard Codes:?C
Risk Statements:?14-34-37
R14 :Reacts violently with water.?
R34:Causes burns.?
R37:Irritating to respiratory system
Safety Statements:?26-36/37/39-43-45-7/8?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.)?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S7:Keep container tightly closed.?
S8:Keep container dry.
RIDADR:?UN 1939 8/PG 2
WGK Germany:?3
F:?10-21
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II

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4.10 Sensitive: Moisture Sensitive

4.11 Specification: ? Phosphoryl bromide (CAS NO.7789-59-5), its Synonyms are Phosphoryl tribromide ; Tribromophosphorus oxide ; Phosphoric tribromide .

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	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.
Response	P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

7789-59-5Total: 35 Synthesis Route

7789-60-8 118 Suppliers

7789-59-5 74 Suppliers

7789-69-7 17 Suppliers

7789-59-5 74 Suppliers

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7. Precursor and Product

precursor:

7789-69-7

14337-11-2

13550-31-7

13510-40-2

7789-60-8

62998-50-9

29646-49-9

13455-03-3

product:

17084-13-8

13550-31-7

15862-37-0

13767-90-3

10035-10-6

15799-93-6

7664-38-2

13455-03-3

142-08-5

50488-44-3

8. Computed Properties

Molecular Weight：286.685g/mol
Molecular Formula：Br₃OP
Compound Is Canonicalized：True
Exact Mass：2.2
XLogP3-AA：285.72164
Monoisotopic Mass：283.72369
Complexity：53
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：17.1
Heavy Atom Count：：5
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcQAAIAIAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9.Other Information

Usage: As a chemical intermediate.Phosphorus(V) oxybromide is used as a brominating agent in the synthesis of 2,4,6-tribromopyrimidine and bromoheterocyclic compounds. It is used in the phosphorus flame retardant and phosphorus activators.

10. Toltal 65 Suppliers View more

Henan Tianfu Chemical Co.,Ltd

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Tel: Update Time:2024/11/15

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Hebei Crovell Biotech Co. Ltd

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Dayang Chem (Hangzhou) Co., Ltd.

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Hangzhou Tianye chemicals Co., Ltd

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Finetech Industry limited.

Tel: Update Time:2018/11/21

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11. Related Questions

: What is the synthesis method of Phosphorus oxybromide?Phosphorus oxybromide, also known as POBr3, is an inorganic compound. It can be synthesized by the reaction of phosphorus pentoxide with phosphorus pentabromide (or acetic acid, isopropanol, tert-buta..; Phosphoryl bromide reaction with benzoic acid I am trying to find out how POBrX3 reacts with ?COOH group (benzoic acid to be specific). I found that it performs an elimination reaction with alcohols to give alkenes. I have also seen that keto gr..; What are the uses and production methods of Phosphorus oxybromide?Phosphorus oxybromide exhibits similar toxicity to phosphorus oxychloride. It reacts with water, releasing white fumes of irritating and corrosive hydrogen bromide gas, which can cause strong irritati..; What is Phosphorus Oxybromide and its Applications?Background and Overview[4] Phosphorus oxybromide is a colorless or pale orange crystalline compound with an irritating odor. It is soluble in ether, benzene, chloroform, carbon disulfide, and concentr..

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