1,3-Dibromobenzene

Base Information

• Chemical Name: 1,3-Dibromobenzene
• CAS No.: 108-36-1
• Molecular Formula: C6H4Br2
• Molecular Weight: 235.906
• Hs Code.: 29036990
• European Community (EC) Number: 203-574-2
• UNII: 74EF6KH8TC
• DSSTox Substance ID: DTXSID7051555
• Nikkaji Number: J2.420A
• Wikidata: Q27117049
• Metabolomics Workbench ID: 55541
• Mol file: 108-36-1.mol

Synonyms:1,3-dibromobenzene;m-dibromobenzene;meta-dibromobenzene

Chemical Property of 1,3-Dibromobenzene

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 5 mm Hg ( 66 °C)
• Melting Point: -7 °C
• Refractive Index: n20/D 1.608(lit.)
• Boiling Point: 217.537 °C at 760 mmHg
• Flash Point: 93.889 °C
• PSA: 0.00000
• Density: 1.937 g/cm³
• LogP: 3.21160
• Storage Temp.: Store below +30°C.
• Solubility.: 0.068g/l
• Water Solubility.: insoluble
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 235.86593
• Heavy Atom Count: 8
• Complexity: 64.9

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dibromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=CC(=C1)Br)Br
• Uses: 1,3-Dibromobenzene is used in Suzuki coupling reaction for the preparation of [n]metacyclophanes. It is used to prepare 5-(3-bromo-phenyl)-2,4-di-tert-butoxy-pyrimidine using Pd(0) (PPh3)4 as a reagent. Further, it undergoes solid-supported potassium fluoride-aluminum oxide palladium-catalyzed polyarylation reaction with phenyl boronic acid to get conjugated polyaryls.

Technology Process of 1,3-Dibromobenzene

There total 87 articles about 1,3-Dibromobenzene 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: 60.0%

7-(Dibrommethylen)bicyclo<2.2.1>hepta-2,5-dien → 1,3-dibromobenzene (108-36-1) + 6,6-Dibromfulven (41605-39-4) + acetylene (74-86-2,25067-58-7)

Guidance literature:

at 450 ℃; for 4h; under 0.0001 Torr; Title compound not separated from byproducts;

Reference yield:

1,2,3,4,5,6-hexabromocyclohexane (1837-91-8) + toluene (108-88-3,15644-74-3,16713-13-6) → bromobenzene (108-86-1,52753-63-6) + 1,3-dibromobenzene (108-36-1) + 1.4-dibromobenzene (106-37-6) + benzyl bromide (100-39-0) + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7) + 2,3-dibromobenzene (583-53-9)

Guidance literature:

at 55 ℃; for 16h; Product distribution; Irradiation; other solvents;

Reference yield:

bromobenzene (108-86-1,52753-63-6) → 1,3,5-trisbromobenzene (626-39-1) + 1,3-dibromobenzene (108-36-1) + 1.4-dibromobenzene (106-37-6) + 1,2,4-tribromobenzene (615-54-3) + 2-nitrophenyl bromide (577-19-5) + para-nitrophenyl bromide (586-78-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + 2,3-dibromobenzene (583-53-9)

Guidance literature:

With aluminum tri-bromide; potassium nitrate; In neat (no solvent); for 0.25h; Time; Catalytic behavior;

DOI:10.1007/s11696-019-00965-w

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

cyclohexene

dibenzoyl peroxide

Downstream raw materials:

bromobenzene

3,3'-dibromobenzophenone

1,5-dibromo-2,4-dinitrobenzene

1,3-dibromo-2-nitrobenzene

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