1,2-Dibromo-4-tert-butylbenzene

Base Information

• Chemical Name: 1,2-Dibromo-4-tert-butylbenzene
• CAS No.: 6683-75-6
• Molecular Formula: C10H12Br2
• Molecular Weight: 292.013
• Hs Code.: 2903999090
• European Community (EC) Number: 881-562-1
• DSSTox Substance ID: DTXSID80482426
• Wikidata: Q72465062
• Mol file: 6683-75-6.mol

Synonyms:1,2-Dibromo-4-tert-butylbenzene;6683-75-6;3,4-Dibromotert-butylbenzene;4-tert-butyl-1,2-dibromobenzene;1,2-dibromo-4-(tert-butyl)benzene;MFCD05664303;Benzene, 1,2-dibromo-4-(1,1-dimethylethyl)-;4-t-butyl-1,2-dibromobenzene;SCHEMBL1134714;DTXSID80482426;LZOUMICSOKCMJT-UHFFFAOYSA-N;1,2-Dibromo-4-tert-butyl-benzene;AKOS005259176;CS-W007208;1 pound not2-Dibromo-4-tert-butylbenzene;AS-10027;SY022999;FT-0754581;1 2-DIBROMO-4-TERT-BUTYLBENZENE 97;A20818

Chemical Property of 1,2-Dibromo-4-tert-butylbenzene

Chemical Property:

• Vapor Pressure: 0.00904mmHg at 25°C
• Refractive Index: n20/D 1.5710(lit.)
• Boiling Point: 281-282 °C(lit.)
• Flash Point: >230 °F
• PSA: 0.00000
• Density: 1.557 g/mL at 25 °C(lit.)
• LogP: 4.50910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 291.92853
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99%, ^*data from raw suppliers

1,2-Dibromo-4-tert-butylbenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)Br)Br

Technology Process of 1,2-Dibromo-4-tert-butylbenzene

There total 4 articles about 1,2-Dibromo-4-tert-butylbenzene 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: 92.0%

1-bromo-4-tert-butylbenzene (3972-65-4) → 1,2-dibromo-4-(1,1-dimethylethyl)benzene (6683-75-6)

Guidance literature:

With bromine; In tetrachloromethane; at 5 - 15 ℃; for 2.16667h;

DOI:10.1055/s-2008-1078269

Reference yield: 47.0%

tert-butylbenzene (253185-03-4,253185-04-5) → 1,2-dibromo-4-(1,1-dimethylethyl)benzene (6683-75-6)

Guidance literature:

With bromine; iodine; iron(III) chloride; for 12h; Ambient temperature;

Reference yield:

2-bromo-4-tert-butylaniline (103273-01-4) → 1,2-dibromo-4-(1,1-dimethylethyl)benzene (6683-75-6)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HBr, (ii) CuBr, aq. KBr;

upstream raw materials:

2-bromo-4-tert-butylaniline

tert-butylbenzene

1-bromo-4-tert-butylbenzene

Downstream raw materials:

4-(t-butyl)phthalonitrile

dimethyl 4-(tert-butyl)phthalate

4-tert-butyl-1,2-bis(trimethylsilyl)benzene

C₁₈H₂₀N₂

Refernces

• 1、 Cook, Michael J.,Dunn, Adrian J.,Gold, Andrew A.,Thomson, Andrew J.,Daniel, Mervyn F.. "Association and Orientation of Copper(II) Tetra-t-butylphthalocyaninate in Multilayer Langmuir-Blodgett Films as determined by Electron Paramagnetic Resonance Spectroscopy". . p. 1583 - 1590. Retrieved 2007/10/02.