Benzene, 1,2,3-trichloro-4,5-dimethoxy-

Base Information

• Chemical Name: Benzene, 1,2,3-trichloro-4,5-dimethoxy-
• CAS No.: 16766-29-3
• Molecular Formula: C8H7 Cl3 O2
• Molecular Weight: 241.501
• Hs Code.: 2909309090
• UNII: 5SN98B8992
• DSSTox Substance ID: DTXSID70168343
• Nikkaji Number: J593.433H
• Wikidata: Q83037927
• Mol file: 16766-29-3.mol

Synonyms:3,4,5-Trichloroveratrole;Benzene, 1,2,3-trichloro-4,5-dimethoxy-;16766-29-3;1,2,3-TRICHLORO-4,5-DIMETHOXYBENZENE;5SN98B8992;1,2,3-trichloro-4,5-dimethoxy-benzene;3,4,5-Trichloroveratrol;SCHEMBL6288225;UNII-5SN98B8992;DTXSID70168343;4,5,6-TRICHLOROVERATROLE;VKNITLPENCJQOP-UHFFFAOYSA-N;AKOS040756978;Benzene, 3,4,5-trichloro-1,2-dimethoxy;HY-133604;CS-0128369;3,4,5-TRICHLORO-1,2-DIMETHOXYBENZENE

Chemical Property of Benzene, 1,2,3-trichloro-4,5-dimethoxy-

Chemical Property:

• Vapor Pressure: 0.00367mmHg at 25°C
• Melting Point: 66°C
• Refractive Index: 1.4521 (estimate)
• Boiling Point: 290.1°Cat760mmHg
• Flash Point: 112°C
• PSA: 18.46000
• Density: 1.393g/cm³
• LogP: 3.66400
• Water Solubility.: 42.65ug/L(25 oC)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 239.951163
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1OC)Cl)Cl)Cl

Technology Process of Benzene, 1,2,3-trichloro-4,5-dimethoxy-

There total 8 articles about Benzene, 1,2,3-trichloro-4,5-dimethoxy- 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:

2-methoxy-phenol (90-05-1) → 1,2,3-trichloro-4,5-dimethoxybenzene (16766-29-3)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorine / CHCl₃

With chlorine; In chloroform;

Reference yield:

3,4,5-Trichlorbenzkatechin (56961-20-7) + methyl iodide (74-88-4) → 1,2,3-trichloro-4,5-dimethoxybenzene (16766-29-3)

Guidance literature:

DOI:10.1002/mrc.1260280407

Reference yield:

→ 1,2,3-trichloro-4,5-dimethoxybenzene (16766-29-3)

Guidance literature:

at 114 - 115 ℃; durch Methylierung;

upstream raw materials:

3,4,5-Trichlorbenzkatechin

methyl iodide

3,4,5-trichloroguaiacol

4,5,6-trichloroguaiacol