1,3-Dibromotetrafluorobenzene

Base Information

• Chemical Name: 1,3-Dibromotetrafluorobenzene
• CAS No.: 1559-87-1
• Molecular Formula: C6Br2F4
• Molecular Weight: 307.868
• Hs Code.: 29036990
• European Community (EC) Number: 216-326-3
• NSC Number: 96999
• DSSTox Substance ID: DTXSID90935317
• Nikkaji Number: J104.193B
• Wikidata: Q72465081
• Mol file: 1559-87-1.mol

Synonyms:1,3-Dibromotetrafluorobenzene;1559-87-1;1,3-Dibromo-2,4,5,6-tetrafluorobenzene;BENZENE, 1,3-DIBROMO-2,4,5,6-TETRAFLUORO-;Benzene, 1,3-dibromotetrafluoro-;EINECS 216-326-3;27516-63-8;NSC96999;Benzene,1,3-dibromo-2,4,5,6-tetrafluoro-;Benzene,3-dibromotetrafluoro-;SCHEMBL3286814;DTXSID90935317;1,3-Dibromotetrafluorobenzene, 96%;MFCD00031533;NSC 96999;NSC-96999;AKOS007930265;AS-64967;Benzene,3-dibromo-2,4,5,6-tetrafluoro-;1,3-Dibromo-2,4,5,6-tetrafluorobenzene #;CS-0121232;D1492;FT-0606631;D78388;A809707

Chemical Property of 1,3-Dibromotetrafluorobenzene

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.992mmHg at 25°C
• Melting Point: 5-7 °C
• Refractive Index: n20/D 1.516(lit.)
• Boiling Point: 184.7 °C at 760 mmHg
• Flash Point: 65.5 °C
• PSA: 0.00000
• Density: 2.22 g/cm³
• LogP: 3.76800
• Storage Temp.: 2-8°C
• 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: 152

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dibromotetrafluorobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1(=C(C(=C(C(=C1F)Br)F)Br)F)F
• Uses: 1,3-Dibromotetrafluorobenzene was used to prepare starting compounds for the synthesis of fluorinated liquid crystal derivatives. It was also used in the synthesis of halogen bonded adducts by undergoing In situ cryocrystallization with various oxygenated solvents.

Technology Process of 1,3-Dibromotetrafluorobenzene

There total 2 articles about 1,3-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: 7.0%

2-bromo-1,3,4,5-tetrafluorobenzene (1559-86-0) → 1,3-dibromo-2,4,5,6-tetrafluorobenzene (1559-87-1) + 1-bromo-2,3,4,6-trafluoro-5-iodobenzene (71451-48-4)

Guidance literature:

With trifluorormethanesulfonic acid; antimony pentafluoride; fluorosulphonic acid; sodium iodide; thallium(III) trifluoroacetate; Yield given. Multistep reaction; 2.) 80 deg C, 24 h;

Reference yield:

→ 1,3-dibromo-2,4,5,6-tetrafluorobenzene (1559-87-1)

Guidance literature:

Hexabrombenzol, KF/Tetramethylensulfon, 200grad, 4h - neben anderen Prodd.;

DOI:10.1021/jo01342a066

Reference yield: 81.0%

1,3-dibromo-2,4,5,6-tetrafluorobenzene (1559-87-1) + (3,5-dichlorophenyl)boronic acid (67492-50-6) → 1,3-bis(3,5-dichlorophenyl)-2,4,5,6-tetrafluorobenzene

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; for 20h; Inert atmosphere; Reflux;

DOI:10.1039/c5tc03879k

upstream raw materials:

2-bromo-1,3,4,5-tetrafluorobenzene

Downstream raw materials:

2-bromo-1,3,4,5-tetrafluorobenzene

1,2,3,5-tetrafluorobenzene

3-bromo 2,4,5,6-tetrafluoro phenyllithium

4,4'-(4,6-dibromo-2,5-difluoro-1,3-phenylene)bis(oxy)bis(pentylbenzene)

Refernces