2,3,5-Trichlorobenzene-1,4-diol

Base Information

• Chemical Name: 2,3,5-Trichlorobenzene-1,4-diol
• CAS No.: 608-94-6
• Molecular Formula: C6H3Cl3O2
• Molecular Weight: 213.448
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID9073208
• Nikkaji Number: J134.552D
• Wikidata: Q82001589
• Metabolomics Workbench ID: 67843
• Mol file: 608-94-6.mol

Synonyms:trichlorohydroquinone;TriCHQ cpd

Chemical Property of 2,3,5-Trichlorobenzene-1,4-diol

Chemical Property:

• Vapor Pressure: 0.00213mmHg at 25°C
• Refractive Index: 1.4501 (estimate)
• Boiling Point: 281.2°C at 760 mmHg
• Flash Point: 123.9°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:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)O)Cl)Cl)O

Technology Process of 2,3,5-Trichlorobenzene-1,4-diol

There total 28 articles about 2,3,5-Trichlorobenzene-1,4-diol 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: 70.0%

2,3-dichloro-1,4-benzoquinone (5145-42-6) → 2,3,5-trichloro-1,4-hydroquinone (608-94-6)

Guidance literature:

With hydrogenchloride; In chloroform; for 24h; Ambient temperature;

Reference yield: 52.0%

dichloromaleic acid anhydride (1122-17-4) + 2,3-dichlorohydroquinone dimethyl ether (39542-66-0) → 2,3,5-trichloro-1,4-hydroquinone (608-94-6) + 5,8-dihydroxy-2,3,6-trichloro-1,4-naphthoquinone (32741-27-8) + 2,3-dichloro-5,8-dihydroxy-[1,4]naphthoquinone (14918-69-5) + 2,5-dichloro-4,7-dihydroxy-3-hydroxycarbonylinden-1-one + 2,3,6,7-tetrachloro-5,8-dihydroxy-1,4-naphthoquinone (15012-64-3)

Guidance literature:

With aluminum (III) chloride; sodium chloride; In melt; at 150 - 180 ℃; for 0.05h;

DOI:10.1007/s11172-016-1402-3

Reference yield: 34.0%

dichloromaleic acid anhydride (1122-17-4) + 2,3-dichlorohydroquinone dimethyl ether (39542-66-0) → 2,3,5-trichloro-1,4-hydroquinone (608-94-6) + 5,8-dihydroxy-2,3,6-trichloro-1,4-naphthoquinone (32741-27-8) + 2,3,6,7-tetrachloro-5,8-dihydroxy-1,4-naphthoquinone (15012-64-3) + chloro-p-hydroquinone (615-67-8)

Guidance literature:

With aluminum (III) chloride; sodium chloride; In melt; at 150 - 180 ℃; for 0.025h;

DOI:10.1007/s11172-016-1402-3

upstream raw materials:

2,5-Dichloro-1,4-benzoquinone

2,3,5-trichlorohydroquinone diacetate

2,6-dichloro-1,4-benzoquinone

2,3,6-trichloro-1,4-benzoquinone

Downstream raw materials:

2,3,5-trichloro-1,4-dimethoxybenzene

2,3,6-trichloro-1,4-benzoquinone

2,3,5-trichlorohydroquinone diacetate

p-benzosemiquinone radical anion