2-Chloro-6-(2,4,6-trichlorophenoxy)cyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 2-Chloro-6-(2,4,6-trichlorophenoxy)cyclohexa-2,5-diene-1,4-dione
• CAS No.: 7714-21-8
• Molecular Formula: C12H4Cl4O3
• Molecular Weight: 337.974
• DSSTox Substance ID: DTXSID40568396
• Nikkaji Number: J445.728E
• Wikidata: Q82454635

Synonyms:7714-21-8;2-Chloro-6-(2,4,6-trichlorophenoxy)cyclohexa-2,5-diene-1,4-dione;DTXSID40568396

Chemical Property of 2-Chloro-6-(2,4,6-trichlorophenoxy)cyclohexa-2,5-diene-1,4-dione

Chemical Property:

• Melting Point: 134-135 °C
• Boiling Point: 428.8±45.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.68±0.1 g/cm3(Predicted)
• LogP: 4.18400
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 337.888505
• Heavy Atom Count: 19
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)OC2=CC(=O)C=C(C2=O)Cl)Cl)Cl

Technology Process of 2-Chloro-6-(2,4,6-trichlorophenoxy)cyclohexa-2,5-diene-1,4-dione

There total 14 articles about 2-Chloro-6-(2,4,6-trichlorophenoxy)cyclohexa-2,5-diene-1,4-dione 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: 80.9%

2,4,6-Trichlorophenol (88-06-2,67471-29-8) → 2-(2',4',6'-trichlorophenoxy)-6-chloro-1,4-benzoquinone (7714-21-8) + 2,6-bis(2',4',6'-trichlorophenoxy)-1,4-benzoquinone (7724-02-9)

Guidance literature:

With barium manganate; In dichloromethane; for 2h;

DOI:10.1080/00397919208021076

Reference yield:

acetic acid (64-19-7,77671-22-8) + 2,4,6-Trichlorophenol (88-06-2,67471-29-8) → 2,6-dichloro-1,4-benzoquinone (697-91-6) + 2-(2',4',6'-trichlorophenoxy)-6-chloro-1,4-benzoquinone (7714-21-8)

Guidance literature:

at 30 - 40 ℃;

Reference yield:

2,4,6-Trichlorophenol (88-06-2,67471-29-8) → 2-(2',4',6'-trichlorophenoxy)-6-chloro-1,4-benzoquinone (7714-21-8)

Guidance literature:

With chromium(VI) oxide; acetic acid; at 30 - 40 ℃;

DOI:10.1111/j.1348-0421.2001.tb01286.x

upstream raw materials:

2,4,6-Trichlorophenol

acetic acid

2-(2',4',6'-trichlorophenoxy)-6-chloro-1,4-dihydroquinone

2,4,4,6-tetrachlorocyclohexa-2,5-dien-1-one

Downstream raw materials:

2-(2',4',6'-trichlorophenoxy)-6-chloro-1,4-dihydroquinone

2-anilino-3-chloro-5-(2,4,6-trichloro-phenoxy)-[1,4]benzoquinone

2,4,6-Trichlorophenol

2-phenoxy-1,4-dihydroquinone

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