Tetrachloroguaiacol

Base Information

• Chemical Name: Tetrachloroguaiacol
• CAS No.: 2539-17-5
• Molecular Formula: C7H4 Cl4 O2
• Molecular Weight: 261.92
• UNII: JIU326512E
• DSSTox Substance ID: DTXSID0044155
• Nikkaji Number: J50.150F
• Wikidata: Q27891191
• Metabolomics Workbench ID: 102555
• Mol file: 2539-17-5.mol

Synonyms:tetrachloroguaiacol

Chemical Property of Tetrachloroguaiacol

Chemical Property:

• Vapor Pressure: 0.000227mmHg at 25°C
• Melting Point: 119-121 °C
• Boiling Point: 316°C at 760 mmHg
• PKA: 6.16±0.33(Predicted)
• Flash Point: 144.9°C
• PSA: 29.46000
• Density: 1.64g/cm³
• LogP: 4.01440
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 261.893590
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

99%, ^*data from raw suppliers

Tetrachloroguaiacol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O
• Uses: Tetrachloroguaiacol is a product formed from the degradation pathway of pentachlorophenol (PCP) in the fungal community. A chlorophenolic detected in wastewater.

Technology Process of Tetrachloroguaiacol

There total 7 articles about Tetrachloroguaiacol 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:

methanol (67-56-1) + Tetrachlor-1,2-benzochinondiazid (31680-14-5) → tetrachloroguaiacol (2539-17-5) + 2,3,4,5-tetrachlorophenol (4901-51-3)

Guidance literature:

Yield given. Yields of byproduct given; Irradiation;

Reference yield:

trimethylene oxide (503-30-0) + methanol (67-56-1) + Tetrachlor-1,2-benzochinondiazid (31680-14-5) → tetrachloroguaiacol (2539-17-5) + 2,3,4,5-tetrachlorophenol (4901-51-3) + 2,3,4,5-Tetrachlor-6-(3-methoxypropoxy)phenol (133752-75-7) + 2,3-(Tetrachlorbenzo)-1,4,8,12-tetraoxapentadecen (133752-76-8)

Guidance literature:

at 20 ℃; Product distribution; Irradiation; other o-chinone diazide; var. MeOH/ oxetane ratios;

Reference yield:

2-methoxy-phenol (90-05-1) → tetrachloroguaiacol (2539-17-5)

Guidance literature:

With chlorine; acetic acid; at 30 ℃;

upstream raw materials:

2-methoxy-phenol

o-chloranil

dimethyl sulfate

methanol

Downstream raw materials:

3,4,5,6-tetrachloroveratrole

2,3,4,5-Tetrachloro-6-(2,4-dichloro-phenoxy)-phenol

2,3,4,5-Tetrachloro-6-(2,4,5-trichloro-phenoxy)-phenol

2,3,4,5-Tetrachloro-6-(2,3,4-trichloro-phenoxy)-phenol

Refernces

• 1、 Burlinson, Nick,Rettig, Steven J.,Trotter, James,McKague, Bruce. "FORMATION OF A TRIMERIC CHLOROGUAIACOL QUINONE IN THE PREPARATION OF TETRACHLOROGUAIACOL AND CRYSTAL STRUCTURE OF ITS TETRAMETHOXY DERIVATIVE". . p. 950 - 954. Retrieved 2007/10/02.