1,3,5-Tribromobenzene

Base Information

• Chemical Name: 1,3,5-Tribromobenzene
• CAS No.: 626-39-1
• Molecular Formula: C6H3Br3
• Molecular Weight: 314.802
• Hs Code.: 2903.69
• European Community (EC) Number: 210-947-3
• NSC Number: 62439
• UNII: O3TD0U1OAQ
• DSSTox Substance ID: DTXSID3052307
• Nikkaji Number: J3.310C
• Wikidata: Q27285289
• Mol file: 626-39-1.mol

Synonyms:1,3,5-tribromobenzene

Chemical Property of 1,3,5-Tribromobenzene

Chemical Property:

• Appearance/Colour: Lump powder
• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 117-121 °C(lit.)
• Refractive Index: 1.633
• Boiling Point: 269.4 °C at 760 mmHg
• Flash Point: 115.5 °C
• PSA: 0.00000
• Density: 2.281 g/cm³
• LogP: 3.97410
• Storage Temp.: Room temperature.
• Solubility.: Soluble in benzene, chloroform, and ether (Weast, 1986)
• Water Solubility.: Soluble in hot ethanol and acetic acid. Insoluble in water.
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 313.77644
• Heavy Atom Count: 9
• Complexity: 63.3

Purity/Quality:

99% ^*data from raw suppliers

1,3,5-Tribromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-53
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Br)Br)Br
• Uses: Intermediate in drug manufacturing; organic synthesis; internal standard in analysis of aqueous samples. 1,3,5-Tribromobenzene, is a reagent that can be used in the preparation of different inhibitors. It is also a substituted Bromobenzene, a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents.

Technology Process of 1,3,5-Tribromobenzene

There total 98 articles about 1,3,5-Tribromobenzene 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: 100.0%

2,4,6-tribromobenzenediazonium o-benzenedisulfonimide → 1,3,5-trisbromobenzene (626-39-1)

Guidance literature:

With dihydrogen peroxide; In tetrahydrofuran; for 0.166667h; Heating;

DOI:10.1055/s-2004-831183

Reference yield: 91.0%

(2,4,6-tribromophenyl)triethylsilane (722540-83-2) → 1,3,5-trisbromobenzene (626-39-1)

Guidance literature:

With potassium fluoride; In tetrahydrofuran; water; for 12h; Heating;

DOI:10.1002/ejoc.200300355

Reference yield: 84.0%

C10H12Br3N3 (401631-91-2) → 1,3,5-trisbromobenzene (626-39-1) + 2,4,6-tribromoiodobenzene (21521-51-7)

Guidance literature:

With tetrafluoroboric acid; hydrogen iodide; In acetonitrile; at 60 ℃; for 24h;

DOI:10.1055/s-2001-18072

upstream raw materials:

methanol

formic acid

ethanol

1.4-dibromobenzene

Downstream raw materials:

3,5-dibromobenzoic acid

me(ph-3.5-Br₂)SiCl₂

3,5-dibromophenol

3,5-dibromoanisole

Refernces

Synthesis of novel twisted carbazole-quinoxaline derivatives with 1,3,5-benzene core: Bipolar molecules as hosts for phosphorescent OLEDs

10.1016/j.tetlet.2011.10.074

The study focuses on the synthesis of novel carbazole-quinoxaline hybrid derivatives centered around a 1,3,5-benzene core, which are designed to serve as bipolar host materials for phosphorescent organic light-emitting diodes (PHOLEDs). These hybrids combine electron-rich carbazole and electron-deficient quinoxaline moieties, leading to twisted structures with good glass-forming properties and a bipolar character, which are essential for balanced carrier transport in PHOLEDs. The synthesized compounds exhibit triplet energies within the range of 2.34–2.53 eV, making them potential candidates as host materials in PHOLEDs. The chemicals used in the study include 1,3,5-tribromobenzene, 1,4-dibromobenzene, tert-butyl bromobenzene, TMS-acetylene, o-phenylenediamine, and other reagents involved in the Ullmann and Sonogashira coupling reactions, as well as materials for electrochemical and thermal analyses. These chemicals serve the purpose of constructing the desired molecular structures and characterizing the properties of the synthesized compounds.