Tetrachloroveratrole

Base Information

• Chemical Name: Tetrachloroveratrole
• CAS No.: 944-61-6
• Molecular Formula: C8H6 Cl4 O2
• Molecular Weight: 275.946
• UNII: 908Y6Q0O54
• DSSTox Substance ID: DTXSID7073939
• Nikkaji Number: J109.004F
• Wikidata: Q27271308
• Mol file: 944-61-6.mol

Synonyms:Tetrachloroveratrole;944-61-6;Benzene, 1,2,3,4-tetrachloro-5,6-dimethoxy-;1,2,3,4-Tetrachloro-5,6-dimethoxybenzene;UNII-908Y6Q0O54;3,4,5,6-TETRACHLOROVERATROLE;908Y6Q0O54;SCHEMBL9215885;DTXSID7073939;AKOS040758481;HY-133605;VERATROLE, 3,4,5,6-TETRACHLORO-;CS-0128376;1,2,3,4-Tetrachloro-5,6-dimethoxy-benzene;1,2,3,4-Tetrachloro-5,6-dimethoxybenzene #;3,4,5,6-TETRACHLORO-1,2-DIMETHOXYBENZENE;Q27271308

Chemical Property of Tetrachloroveratrole

Chemical Property:

• Vapor Pressure: 0.000671mmHg at 25°C
• Refractive Index: 1.5282 (estimate)
• Boiling Point: 318.5°Cat760mmHg
• Flash Point: 122.1°C
• PSA: 18.46000
• Density: 1.489g/cm³
• LogP: 4.31740
• Water Solubility.: 1.59mg/L(25 oC)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 275.909240
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

99% ^*data from raw 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)OC

Technology Process of Tetrachloroveratrole

There total 12 articles about Tetrachloroveratrole 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%

1,2-dimethoxybenzene (91-16-7) → 3,4,5,6-tetrachloroveratrole (944-61-6)

Guidance literature:

With benzyltrimethylazanium tetrachloro-λ³-iodanuide; In acetic acid; at 70 ℃; for 24h;

DOI:10.1246/cl.1989.415

Reference yield:

2-methoxy-phenol (90-05-1) → 3,4,5,6-tetrachloroveratrole (944-61-6)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid; chlorine / 30 °C

2: aqueous NaOH

With sodium hydroxide; chlorine; acetic acid;

Reference yield:

o-chloranil (1198-55-6) + methyl iodide (74-88-4) → 3,4,5,6-tetrachloroveratrole (944-61-6)

Guidance literature:

DOI:10.1002/mrc.1260280407

upstream raw materials:

1,2-dimethoxybenzene

3-nitroveratrole

tetrachloroguaiacol

dimethyl sulfate

Downstream raw materials:

o-tetrachloroquinone