1,4-Dibromotetrafluorobenzene

Base Information

• Chemical Name: 1,4-Dibromotetrafluorobenzene
• CAS No.: 344-03-6
• Molecular Formula: C6Br2F4
• Molecular Weight: 307.868
• Hs Code.: 29039990
• European Community (EC) Number: 206-448-5
• NSC Number: 97061
• UNII: HR9W6V9DNN
• DSSTox Substance ID: DTXSID20187968
• Nikkaji Number: J104.192D
• Wikidata: Q83059725
• Mol file: 344-03-6.mol

Synonyms:1,4-dibromotetrafluorobenzene

Chemical Property of 1,4-Dibromotetrafluorobenzene

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.699mmHg at 25°C
• Melting Point: 78-81 ºC
• Refractive Index: 1.512
• Boiling Point: 191.9 °C at 760 mmHg
• Flash Point: 69.9 ºC
• PSA: 0.00000
• Density: 2.22 g/cm³
• LogP: 3.76800
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Solubility in methanol is almost transparent.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 307.82824
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

98% ^*data from raw suppliers

1,4-Dibromotetrafluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1Br)F)F)Br)F)F
• Uses: It is used as a chemical intermediate.

Technology Process of 1,4-Dibromotetrafluorobenzene

There total 6 articles about 1,4-Dibromotetrafluorobenzene 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: 8.0%

1-bromo-2,3,5,6-tetrafluorobenzene (1559-88-2) → 1,4-dibromotetrafluorobenzene (344-03-6) + 1-bromo-2,3,5,6-tetrafluoro-4-iodobenzene (63108-00-9)

Guidance literature:

With trifluorormethanesulfonic acid; antimony pentafluoride; sodium iodide; thallium(III) trifluoroacetate; Yield given. Multistep reaction; 2.) 80 deg C, 3 h;

Reference yield:

1,2,4,5-Tetrafluorobenzene (327-54-8) → 1,4-dibromotetrafluorobenzene (344-03-6)

Guidance literature:

With aluminum tri-bromide; sulfuric acid; bromine;

DOI:10.1021/ja01114a512

Reference yield:

2,3,5,6-tetrafluorobenzoic acid (652-18-6) → 1-bromo-2,3,5,6-tetrafluorobenzene (1559-88-2) + 1,4-dibromotetrafluorobenzene (344-03-6)

Guidance literature:

With potassium phosphate; tetrabuthylammonium tribromide; In acetonitrile; at 100 ℃; for 16h; Overall yield = 71 %Spectr.;

DOI:10.1039/c8sc01016a

upstream raw materials:

1,2,4,5-Tetrafluorobenzene

1-bromo-2,3,5,6-tetrafluorobenzene

Hexafluorobenzene

perfluoro(2-propoxypropionyl) fluoride

Downstream raw materials:

4-Hydro-1-propionyltetrafluorobenzene

1,4-Dipropionyltetrafluorobenzene

Ethyl (4-bromotetrafluorophenyl)ketone

1-trimethylsilyl-2,3,5,6-tetrafluorobenzene

Refernces

• 1、 Deacon, Glen B.,Smith, Richard N.M.. "Organothallium Compounds. XVIII The Effect of Antimony Pentafluoride and Fluorosulfuric Acid on the Thallation of Polyfluoroarenes". . p. 1587 - 1597. Retrieved 2007/10/02.