3,5-Dichloro-2-methylcyclohexa-2,5-diene-1,4-dione

Base Information

• Chemical Name: 3,5-Dichloro-2-methylcyclohexa-2,5-diene-1,4-dione
• CAS No.: 40100-98-9
• Molecular Formula: C7H4Cl2O2
• Molecular Weight: 191.014
• DSSTox Substance ID: DTXSID90600992
• Nikkaji Number: J89.334J
• Wikidata: Q82497353
• Mol file: 40100-98-9.mol

Synonyms:40100-98-9;3,5-dichloro-2-methylcyclohexa-2,5-diene-1,4-dione;3,5-Dichloro-2-methyl-benzoquinone;3,5-Dichloro-2-methyl-1,4-benzoquinone;3,5-Dichloro-2-methyl-2,5-cyclohexadiene-1,4-dione;2,6-dichloro-3-methyl-1,4-benzoquinone;starbld0007777;SCHEMBL9654631;DTXSID90600992;NS00132985

Chemical Property of 3,5-Dichloro-2-methylcyclohexa-2,5-diene-1,4-dione

Chemical Property:

• PSA: 34.14000
• LogP: 1.77370
• Storage Temp.: Amber Vial, -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 189.9588348
• Heavy Atom Count: 11
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C(=CC1=O)Cl)Cl
• Uses: 3,5-Dichloro-2-methyl-benzoquinone is used in biological studies to evaluate the cytotoxicity and oxidative damage induced by halobenzoquinones to T24 bladder cancer cells.

Technology Process of 3,5-Dichloro-2-methylcyclohexa-2,5-diene-1,4-dione

There total 16 articles about 3,5-Dichloro-2-methylcyclohexa-2,5-diene-1,4-dione 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: 60.0%

2,4,6-trichloro-m-cresol (551-76-8) → 2,6-dichloro-3-methyl-1,4-benzoquinone-4-(N-chloro)imine + 2,6-dichloro-3-methyl-1,4-benzoquinone (40100-98-9)

Guidance literature:

With sodium hydroxide; sulfuric acid; In water; for 0.75h; pH=6; Further Variations:; Reagents; pH-values; Product distribution;

DOI:10.1021/es030644h

Reference yield:

4-amino-2,6-dichloro-3-methylphenol (64981-11-9) → 2,6-dichloro-3-methyl-1,4-benzoquinone (40100-98-9)

Guidance literature:

With chromium(III) oxide; sulfuric acid;

Reference yield:

4-bromo-2,6-dichloro-3-methyl-phenol (56037-74-2) → 2,6-dichloro-3-methyl-1,4-benzoquinone (40100-98-9)

Guidance literature:

With chromium(III) oxide; sulfuric acid;

upstream raw materials:

2,4,6-trichloro-m-cresol

4-bromo-2,6-dichloro-3-methyl-phenol

4-amino-2,6-dichloro-3-methylphenol

3-methyl-phenol

Downstream raw materials:

3,5-dichloro-2-methyl-hydroquinone

2,6-dichloro-3-hydroxy-5-methyl-[1,4]benzoquinone

Refernces

• 1、 -. "Reactive dyestuffs". . . Retrieved 2008/06/13.