Bromotrifluoromethane

Base Information

• Chemical Name: Bromotrifluoromethane
• CAS No.: 75-63-8
• Deprecated CAS: 62395-25-9,1452383-17-3,1519044-51-9,1802169-93-2
• Molecular Formula: CBr F3
• Molecular Weight: 148.91
• Hs Code.: 2903760020
• European Community (EC) Number: 200-887-6
• ICSC Number: 0837
• UN Number: 1009
• UNII: 52231LCA7R
• DSSTox Substance ID: DTXSID5026415
• Nikkaji Number: J1.458C
• Wikipedia: Bromotrifluoromethane
• Wikidata: Q413018
• Mol file: 75-63-8.mol

Synonyms:bromotrifluoromethane;CF3Br;Freon 13B1;Halon 1301

Chemical Property of Bromotrifluoromethane

Chemical Property:

• Vapor Pressure: 9740mmHg at 25°C
• Melting Point: -168°C
• Refractive Index: 1.321
• Boiling Point: -58°C
• PSA: 0.00000
• Density: 1.58
• LogP: 1.90110
• Solubility.: Soluble in chloroform (Weast, 1986) and many other solvents, particularly chlorinated hydrocarbons.
• Water Solubility.: 0.03 wt % at 20 °C (NIOSH, 1997)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 147.91355
• Heavy Atom Count: 5
• Complexity: 28.4
• Transport DOT Label: Non-Flammable Gas

Purity/Quality:

99.9% ^*data from raw suppliers

Bromotrifluoromethane 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TLV: 1000 ppm.
• Hazard Codes: TLV: 1000 ppm.
• Statements: 20
• Safety Statements: 23-36/37/39-38

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorofluorocarbons
• Canonical SMILES: C(F)(F)(F)Br
• Inhalation Risk: A harmful concentration of this gas in the air will be reached very quickly on loss of containment.
• Effects of Short Term Exposure: The substance is irritating to the eyes. Rapid evaporation of the liquid may cause frostbite. The substance may cause effects on the central nervous system.
• Uses: Used as fire extinguishing agent for oil, electrical equipment, organic solvent, natural gas and a variety of organics, especially for important military and civilian sites. Fire extinguishing agent; refrigerant.

Technology Process of Bromotrifluoromethane

There total 95 articles about Bromotrifluoromethane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

chromium(III) oxide + halon-1211 (353-59-3) → chromium(III) fluoride (7788-97-8) + chlorotrifluoromethane (75-72-9) + Bromotrifluoromethane (75-63-8) + chromium(III) chloride (10025-73-7,16284-59-6) + chromium(III) bromide (10031-25-1)

Guidance literature:

In neat (no solvent); decomposition at 500°C on heating in a closed tube; further products;;

Reference yield:

vanadium pentafluoride (7783-72-4,44247-54-3) + carbon tetrabromide (558-13-4) → vanadium(III) bromide (13470-26-3) + vanadium(IV) fluoride (10049-16-8) + carbon tetrafluoride (75-73-0) + Bromotrifluoromethane (75-63-8)

Guidance literature:

In neat (no solvent); uncomplete reaction;;

Reference yield:

vanadium pentafluoride (7783-72-4,44247-54-3) + carbon tetrabromide (558-13-4) → vanadium(III) bromide (13470-26-3) + carbon tetrafluoride (75-73-0) + Bromotrifluoromethane (75-63-8)

Guidance literature:

In neat (no solvent); byproducts: VF4; reaction of CBr4 with an excess of VF5 at notmal temp.;;

upstream raw materials:

freon-218

trifluoromethan

dibromodifluoromethane

carbon tetrabromide

Downstream raw materials:

(E)/(Z)-1-bromo-1-pentene

bromomethylenecyclohexane

1-bromohexene

(E)/(Z)-1-bromo-1-heptene

Refernces

Ruthenium-Catalyzed Site-Selective Trifluoromethylations and (Per)Fluoroalkylations of Anilines and Indoles

10.1002/chem.202001439

The study presents a novel and practical method for ortho-selective C-H perfluoroalkylation, including trifluoromethylations, of anilines and indoles using ruthenium catalysis. The process is significant for the synthesis of various (per)fluoroalkylated building blocks, which are valuable for creating bioactive compounds and materials. The researchers utilized commercially available reagents RI and RfBr, achieving high site selectivity without the need for protecting groups. The methodology is attractive due to the availability and cost of the starting materials, and it offers a mild reaction condition for the direct C-H perfluoroalkylation of anilines. The study also explores the substrate scope and reaction conditions, demonstrating the potential for gram-scale synthesis and the successful application to indoles, providing a pathway to selectively functionalize these important heterocyclic compounds.

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