Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)-

Base Information

• Chemical Name: Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)-
• CAS No.: 94897-81-1
• Molecular Formula: C12H4Cl6O2
• Molecular Weight: 392.877
• DSSTox Substance ID: DTXSID60241674
• Nikkaji Number: J1.597.521K
• Wikidata: Q83125241
• Mol file: 94897-81-1.mol

Synonyms:94897-81-1;2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)phenol;Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)-;DTXSID60241674

Chemical Property of Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)-

Chemical Property:

• Vapor Pressure: 8.79E-07mmHg at 25°C
• Boiling Point: 394.3°Cat760mmHg
• Flash Point: 192.3°C
• Density: 1.707g/cm³
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 391.831295
• Heavy Atom Count: 20
• Complexity: 321

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)OC2=CC(=C(C(=C2O)Cl)Cl)Cl)Cl)Cl

Technology Process of Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)-

There total 3 articles about Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)- 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: 90.0%

5-Chloro-2-(2,4,6-trichloro-phenoxy)-phenol (50903-31-6) → 4,5,6-trichloro-2-(2,4,6-trichlorophenoxy)phenol (94897-81-1)

Guidance literature:

With chlorine; In acetic acid; at 20 ℃;

DOI:10.1055/s-1985-31383

Reference yield:

4-Chloroguaiacol (16766-30-6) → 4,5,6-trichloro-2-(2,4,6-trichlorophenoxy)phenol (94897-81-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) K₂CO₃, 2.) BBr₃ / 1.) DMF, reflux, 3 h, 2. ) CH₂Cl₂

2: 90 percent / Cl₂ / acetic acid / 20 °C

With chlorine; boron tribromide; potassium carbonate; In acetic acid;

DOI:10.1055/s-1985-31383

Reference yield:

2,4,6-Trichlorofluorobenzene (36556-33-9) → 4,5,6-trichloro-2-(2,4,6-trichlorophenoxy)phenol (94897-81-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) K₂CO₃, 2.) BBr₃ / 1.) DMF, reflux, 3 h, 2. ) CH₂Cl₂

2: 90 percent / Cl₂ / acetic acid / 20 °C

With chlorine; boron tribromide; potassium carbonate; In acetic acid;

DOI:10.1055/s-1985-31383

upstream raw materials:

5-Chloro-2-(2,4,6-trichloro-phenoxy)-phenol

4-Chloroguaiacol

2,4,6-Trichlorofluorobenzene