1,2,3-Trichloro-4,5,6-trimethoxybenzene

Base Information

• Chemical Name: 1,2,3-Trichloro-4,5,6-trimethoxybenzene
• CAS No.: 2539-13-1
• Molecular Formula: C₉H₉Cl₃O₃
• Molecular Weight: 271.528
• DSSTox Substance ID: DTXSID40862982
• Nikkaji Number: J569.089G
• Mol file: 2539-13-1.mol

Synonyms:1,2,3-TRICHLORO-4,5,6-TRIMETHOXYBENZENE;Benzene, trichlorotrimethoxy-;2539-13-1;Trichlorotrimethoxybenzene;Benzene, 1,2,3-trichloro-4,5,6-trimethoxy-;77223-56-4;1,2,3-trichloro-4,5,6-trimethoxy-benzene;DTXSID40862982

Chemical Property of 1,2,3-Trichloro-4,5,6-trimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.000638mmHg at 25°C
• Boiling Point: 319.3°Cat760mmHg
• Flash Point: 119.2°C
• PSA: 27.69000
• Density: 1.376g/cm³
• LogP: 3.67260
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 269.961727
• Heavy Atom Count: 15
• Complexity: 187

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(=C1OC)Cl)Cl)Cl)OC

Technology Process of 1,2,3-Trichloro-4,5,6-trimethoxybenzene

There total 4 articles about 1,2,3-Trichloro-4,5,6-trimethoxybenzene 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:

1,2,3-trimethoxybenzene (634-36-6) → 4,5,6-trichloro-1,2,3-trimethoxybenzene (2539-13-1)

Guidance literature:

With chlorine; acetic acid;

Reference yield:

N-chloro-succinimide (128-09-6) + 1,2,3-trimethoxybenzene (634-36-6) → 4,5,6-trichloro-1,2,3-trimethoxybenzene (2539-13-1)

Guidance literature:

With dibenzoyl peroxide;

DOI:10.1021/jo01095a005

Reference yield:

1,3-dimethoxy-2-hydroxy-benzene (91-10-1) → 4,5,6-trichloro-1,2,3-trimethoxybenzene (2539-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorination

DOI:10.1002/mrc.1260280407

upstream raw materials:

N-chloro-succinimide

1,2,3-trimethoxybenzene

3,4,5-trichlorosyringol

methyl iodide