3,4,6-Trichlorocatechol

Base Information

• Chemical Name: 3,4,6-Trichlorocatechol
• CAS No.: 32139-72-3
• Molecular Formula: C6H3 Cl3 O2
• Molecular Weight: 213.448
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID10865622
• Nikkaji Number: J569.887A
• Wikidata: Q27104249
• Metabolomics Workbench ID: 52087
• Mol file: 32139-72-3.mol

Synonyms:3,4,6-TCC;3,4,6-trichlorocatechol

Chemical Property of 3,4,6-Trichlorocatechol

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Refractive Index: 1.4501 (estimate)
• Boiling Point: 275.4°Cat760mmHg
• PKA: 6.40±0.20(Predicted)
• Flash Point: 120.4°C
• PSA: 40.46000
• Density: 1.747g/cm³
• LogP: 3.05800
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 211.919862
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

3,4,6-Trichlorocatechol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)O)O)Cl
• Uses: 3,4,6-Trichlorocatechol is a mutagen.

Technology Process of 3,4,6-Trichlorocatechol

There total 2 articles about 3,4,6-Trichlorocatechol 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:

→ 3,5,6-trichloro 1,2-dihydroxy benzene (32139-72-3)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide;

Reference yield:

→ 3,5,6-trichloro 1,2-dihydroxy benzene (32139-72-3)

Guidance literature:

aus /BRN= 259602/, H2O2/NaOH;

Reference yield:

3,5,6-trichloro 1,2-dihydroxy benzene (32139-72-3) + acetic anhydride (108-24-7) → 3,4,6-trichlorocatechol diacetate

Guidance literature:

With sodium carbonate; In water; for 0.0166667h; pH=11.5;

DOI:10.1016/0045-6535(94)90285-2

Downstream raw materials:

3,4,6-trichloroveratrole