Benzene, 1,4-dibromo-2,5-dichloro-3,6-dimethyl-

Base Information

• Chemical Name: Benzene, 1,4-dibromo-2,5-dichloro-3,6-dimethyl-
• CAS No.: 89244-52-0
• Molecular Formula: C₈H₆Br₂Cl₂
• Molecular Weight: 332.85
• DSSTox Substance ID: DTXSID60398793
• Wikidata: Q82200966

Synonyms:1,4-dibromo-2,5-dichloro-3,6-dimethylbenzene;Benzene, 1,4-dibromo-2,5-dichloro-3,6-dimethyl-;89244-52-0;DTXSID60398793;AKOS024332264

Chemical Property of Benzene, 1,4-dibromo-2,5-dichloro-3,6-dimethyl-

Chemical Property:

• Melting Point: 229-231 °C
• Boiling Point: 333.6±37.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.867±0.06 g/cm3(Predicted)
• LogP: 5.13520
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 331.81928
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1Br)Cl)C)Br)Cl

Technology Process of Benzene, 1,4-dibromo-2,5-dichloro-3,6-dimethyl-

There total 4 articles about Benzene, 1,4-dibromo-2,5-dichloro-3,6-dimethyl- 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:

C6Br2Cl2Li2 (89244-49-5) → 1,4-dibromo-2,5-dichloro-3,6-dimethyl-benzene (89244-52-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / BrCH₂CO₂C₂H₅

2: 1.) n-BuLi, hexane, ether, -78 deg C, 1.5 h

With ethyl bromoacetate;

DOI:10.1016/S0040-4039(00)94183-2

Reference yield:

1,4-dichloro-2,5-dimethylbenzene (1124-05-6) → 1,4-dibromo-2,5-dichloro-3,6-dimethyl-benzene (89244-52-0)

Guidance literature:

With bromine; iron;

Reference yield:

1,2,4,5-tetrabromo-3,6-dichlorobenzene (31604-30-5) + dimethyl sulfate (77-78-1) → 1,4-dibromo-2,5-dichloro-3,6-dimethyl-benzene (89244-52-0)

Guidance literature:

Yield given. Multistep reaction; 1.) n-BuLi, hexane, ether, -78 deg C, 1.5 h;

DOI:10.1016/S0040-4039(00)94183-2

upstream raw materials:

1,2,4,5-tetrabromo-3,6-dichlorobenzene

dimethyl sulfate

1,4-dichloro-2,5-dimethylbenzene

C₆Br₂Cl₂Li₂

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