1,3-Dichloro-5-hexylbenzene

Base Information

• Chemical Name: 1,3-Dichloro-5-hexylbenzene
• CAS No.: 87969-82-2
• Molecular Formula: C12H16Cl2
• Molecular Weight: 231.165
• DSSTox Substance ID: DTXSID40528839
• Wikidata: Q82398764

Synonyms:1,3-dichloro-5-hexylbenzene;87969-82-2;SCHEMBL10441595;DTXSID40528839

Chemical Property of 1,3-Dichloro-5-hexylbenzene

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 230.0629059
• Heavy Atom Count: 14
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC(=CC(=C1)Cl)Cl

Technology Process of 1,3-Dichloro-5-hexylbenzene

There total 1 articles about 1,3-Dichloro-5-hexylbenzene 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: 50.0%

1,3,5-trichlorobenzene (108-70-3,63697-19-8) + n-hexylmagnesium bromide (3761-92-0) → 1,3-Dichloro-5-n-hexylbenzene (87969-82-2)

Guidance literature:

bis(acetylacetonate)nickel(II); In tetrahydrofuran; at -20 ℃; for 6h;

DOI:10.1021/jo00177a018

Reference yield: 58.0%

n-decyl magnesium bromide (17049-50-2) + 1,3-Dichloro-5-n-hexylbenzene (87969-82-2) → 1-n-Hexyl-3,5-di-n-decylbenzene (87969-86-6)

Guidance literature:

1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In diethyl ether; for 168h; Heating;

DOI:10.1021/jo00177a018

Reference yield: 56.0%

octylmagnesium bromide (17049-49-9) + 1,3-Dichloro-5-n-hexylbenzene (87969-82-2) → 1-n-Hexyl-3,5-di-n-octylbenzene (87969-85-5)

Guidance literature:

1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In diethyl ether; for 240h; Heating;

DOI:10.1021/jo00177a018

upstream raw materials:

1,3,5-trichlorobenzene

n-hexylmagnesium bromide

Downstream raw materials:

1-n-Hexyl-3,5-di-n-octylbenzene

1-n-Hexyl-3,5-di-n-decylbenzene

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