2,4,6-Trichloro-3,5-dimethylphenol

Base Information

• Chemical Name: 2,4,6-Trichloro-3,5-dimethylphenol
• CAS No.: 6972-47-0
• Molecular Formula: C8H7 Cl3 O
• Molecular Weight: 225.502
• European Community (EC) Number: 230-206-8
• NSC Number: 61998
• UNII: PZ4WW45ASV
• DSSTox Substance ID: DTXSID00220009
• Nikkaji Number: J266.022I
• Wikidata: Q83097073
• ChEMBL ID: CHEMBL1999581
• Mol file: 6972-47-0.mol

Synonyms:2,4,6-Trichloro-3,5-dimethylphenol;6972-47-0;Phenol, 2,4,6-trichloro-3,5-dimethyl-;2,4,6-Trichloro-3,5-Dimethyl-Phenol;3,5-Xylenol, 2,4,6-trichloro-;PZ4WW45ASV;AI3-08633;EINECS 230-206-8;NSC-61998;3,5-Dimethyl-2,4,6-trichlorophenol;NSC61998;UNII-PZ4WW45ASV;3, 2,4,6-trichloro-;CHEMBL1999581;SCHEMBL10577820;2,4,6-Trichlor-3,5-xylenol;2,4,6-Trichloro-3,5-xylenol;DTXSID00220009;NSC 61998;AKOS005264333;Phenol,4,6-trichloro-3,5-dimethyl-;2,4,6-Trichloro-3,5-dimethylphenol #;NCI60_005895

Chemical Property of 2,4,6-Trichloro-3,5-dimethylphenol

Chemical Property:

• Vapor Pressure: 0.00225mmHg at 25°C
• Melting Point: 175°C
• Refractive Index: 1.5510 (estimate)
• Boiling Point: 280.3°C at 760 mmHg
• Flash Point: 123.3°C
• PSA: 20.23000
• Density: 1.443g/cm³
• LogP: 3.96920
• Water Solubility.: 4.961mg/L(25 oC)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 223.956248
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trichloro-3,5-dimethyl-phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1Cl)O)Cl)C)Cl

Technology Process of 2,4,6-Trichloro-3,5-dimethylphenol

There total 10 articles about 2,4,6-Trichloro-3,5-dimethylphenol 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: 96.0%

3,5-Dimethylphenol (108-68-9,50356-23-5) → 2,4,6-trichloro-3,5-dimethyl-phenol (6972-47-0)

Guidance literature:

With sulfuryl dichloride; In diethyl ether; dichloromethane; at 23 ℃; for 1h;

DOI:10.1016/S0040-4039(00)78341-9

Reference yield:

→ 2,4,6-trichloro-3,5-dimethyl-phenol (6972-47-0) + 3,5-dichloro-2-hydroxy-4,6-dimethyl-benzenesulfonic acid ; potassium-salt

Guidance literature:

With potassium hydroxide; und Behandeln des Reaktionsgemisches mit wss.Salzsaeure und wss.Wasserstoffperoxid;

DOI:10.1007/BF01518670

Reference yield:

2,4-dichloro-3,5-dimethylphenol (133-53-9) → 2,4,6-trichloro-3,5-dimethyl-phenol (6972-47-0)

Guidance literature:

With chlorine;

upstream raw materials:

ethanol

4-bromo-2,4,6-trichloro-3,5-dimethyl-cyclohexa-2,5-dienone

2,4-dichloro-3,5-dimethylphenol

2,4,6,6-tetrachloro-3,5-dimethyl-cyclohexa-2,4-dienone

Downstream raw materials:

benzenesulfonic acid-(2,4,6-trichloro-3,5-dimethyl-phenyl ester)

2,4,6,6-tetrachloro-3,5-dimethyl-cyclohexa-2,4-dienone

2,4,4,6-tetrachloro-3,5-dimethyl-cyclohexa-2,5-dienone

2,6-dichloro-3,5-dimethylcyclohexa-2,5-diene-1,4-dione

Refernces