1,3,5-Tribromo-2,4,6-triethylbenzene

Base Information

• Chemical Name: 1,3,5-Tribromo-2,4,6-triethylbenzene
• CAS No.: 80717-52-8
• Molecular Formula: C12H15 Br3
• Molecular Weight: 398.9595
• NSC Number: 143567
• DSSTox Substance ID: DTXSID70868639
• Mol file: 80717-52-8.mol

Synonyms:1,3,5-tribromo-2,4,6-triethylbenzene;80717-52-8;Benzene,1,3,5-tribromo-2,4,6-triethyl-;NSC143567;SCHEMBL5095740;DTXSID70868639;NSC-143567;2,4,6-triethyl-1,3,5-tribromobenzene;FT-0723740

Chemical Property of 1,3,5-Tribromo-2,4,6-triethylbenzene

Chemical Property:

• Vapor Pressure: 2.52E-05mmHg at 25°C
• Boiling Point: 369.4°C at 760 mmHg
• Flash Point: 172.3°C
• Density: 1.687g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 397.87034
• Heavy Atom Count: 15
• Complexity: 144

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=C(C(=C1Br)CC)Br)CC)Br

Technology Process of 1,3,5-Tribromo-2,4,6-triethylbenzene

There total 4 articles about 1,3,5-Tribromo-2,4,6-triethylbenzene 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: 98.0%

1,3,5-triethylbenzene (102-25-0) → 1,3,5-Tribromo-2,4,6-triethylbenzene (80717-52-8)

Guidance literature:

With bromine; iron; at 20 ℃; for 0.166667h;

DOI:10.1021/jacs.8b02184

Reference yield: 95.0%

2-bromo-1,3,5-triethylbenzene (91-06-5) → 1,3,5-Tribromo-2,4,6-triethylbenzene (80717-52-8)

Guidance literature:

With bromine; iron; at 0 - 20 ℃;

DOI:10.1002/(SICI)1521-3765(19990903)5:9<2537::AID-CHEM2537>3.0.CO;2-3

Reference yield: 38.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,2,3-trimethoxybenzene (621-23-8) → 1,3,5-Tribromo-2,4,6-triethylbenzene (80717-52-8)

Guidance literature:

With hydrogen bromide; acetic acid; at 85 ℃; for 5h;

DOI:10.1021/jacs.8b02184

upstream raw materials:

1,3,5-triethylbenzene

2-bromo-1,3,5-triethylbenzene

benzene

formaldehyd

Downstream raw materials:

1,3,5-Tricyano-2,4,6-triethylbenzene