1,3-Dibromo-2,5-dichlorobenzene

Base Information

• Chemical Name: 1,3-Dibromo-2,5-dichlorobenzene
• CAS No.: 81067-41-6
• Molecular Formula: C6H2Br2Cl2
• Molecular Weight: 304.796
• DSSTox Substance ID: DTXSID20554676
• Wikidata: Q82435806
• Mol file: 81067-41-6.mol

Synonyms:1,3-Dibromo-2,5-dichlorobenzene;81067-41-6;Benzene, 1,3-dibromo-2,5-dichloro-;MFCD00070784;SCHEMBL12849942;DTXSID20554676;HKKSDHKJUSSWAI-UHFFFAOYSA-N;1,3-Dibromo-2,5-dichloro-benzene;AKOS027298696;BS-17597;SY268139;CS-0157754;D83161

Chemical Property of 1,3-Dibromo-2,5-dichlorobenzene

Chemical Property:

• PSA: 0.00000
• LogP: 4.51840
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 303.78798
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99.3% ^*data from raw suppliers

1,3-Dibromo-2,5-dichlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)Cl)Br)Cl

Technology Process of 1,3-Dibromo-2,5-dichlorobenzene

There total 2 articles about 1,3-Dibromo-2,5-dichlorobenzene 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:

4,6-dibromo-2,5-dichloroaniline (27761-65-5) → 1,3-dibromo-2,5-dichlorobenzene (81067-41-6)

Guidance literature:

With tert.-butylnitrite; In ethanol; at 50 ℃; for 2h;

Reference yield:

2,5 dichloroaniline (95-82-9) → 1,3-dibromo-2,5-dichlorobenzene (81067-41-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N-Bromosuccinimide / tetrahydrofuran / 2 h / 20 °C

2: tert.-butylnitrite / ethanol / 2 h / 50 °C

With N-Bromosuccinimide; tert.-butylnitrite; In tetrahydrofuran; ethanol;

Reference yield: 85.0%

diphenylamine (122-39-4) + 1,3-dibromo-2,5-dichlorobenzene (81067-41-6) → C30H22Cl2N2

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; sodium t-butanolate; In toluene; at 80 ℃; Inert atmosphere;

upstream raw materials:

2,5 dichloroaniline

4,6-dibromo-2,5-dichloroaniline

Refernces