4-Chloro-o-benzoquinone

Base Information

• Chemical Name: 4-Chloro-o-benzoquinone
• CAS No.: 31222-02-3
• Molecular Formula: C6H3 Cl O2
• Molecular Weight: 142.542
• DSSTox Substance ID: DTXSID50953299
• Nikkaji Number: J65.479E
• Wikidata: Q82932104
• Mol file: 31222-02-3.mol

Synonyms:4-Chloro-o-benzoquinone;o-Benzoquinone, 4-chloro-;BRN 2573295;31222-02-3;3-07-00-03354 (Beilstein Handbook Reference);4-chloro-1,2-benzoquinone;4-chlorocyclohexa-3,5-diene-1,2-dione;SCHEMBL8662559;DTXSID50953299;AKOS006372930;LS-40329;3,5-Cyclohexadiene-1,2-dione, 4-chloro-

Chemical Property of 4-Chloro-o-benzoquinone

Chemical Property:

• Vapor Pressure: 0.375mmHg at 25°C
• Boiling Point: 197.6°Cat760mmHg
• Flash Point: 77.1°C
• Density: 1.4g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.9821570
• Heavy Atom Count: 9
• Complexity: 225

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-o-benzoquinone

There total 15 articles about 4-Chloro-o-benzoquinone 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: 99.0%

4-chloro-1,2-benzenediol (2138-22-9) → 4-chlorocyclohexa-3,5-diene-1,2-dione (31222-02-3)

Guidance literature:

With sodium periodate; benzyltrimethylammonium chloride; In dichloromethane; water; Ambient temperature;

DOI:10.1021/jo00172a059

Reference yield: 90.0%

lithium 4-chlorophenolate (1121-75-1) → 4-chlorocyclohexa-3,5-diene-1,2-dione (31222-02-3)

Guidance literature:

With (μ-τ²:τ²-peroxo)dicopper(II); In acetone; at -94 ℃; Kinetics;

DOI:10.1021/ja015702i

Reference yield: 46.0%

5-Chloro-2,9,11,12,13-pentaoxa-tricyclo[8.2.1.03,8]trideca-3,5,7-triene (110851-18-8) → 4-chloro-1,2-benzenediol (2138-22-9) + 4-chlorocyclohexa-3,5-diene-1,2-dione (31222-02-3)

Guidance literature:

In dichloromethane; at -78 ℃; for 1h; Irradiation;

DOI:10.1021/jo00234a020

upstream raw materials:

4-chloro-1,2-benzenediol

3-monochlorophenol

3,4-Dihydro-3,4-dihydroxy-chlorbenzol

4-chloro-aniline

Downstream raw materials:

4-chloro-1,2-benzenediol

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