2,5-Dichloro-3-methyl-1,4-benzoquinone

Base Information

• Chemical Name: 2,5-Dichloro-3-methyl-1,4-benzoquinone
• CAS No.: 40100-99-0
• Molecular Formula: C₇H₄Cl₂O₂
• Molecular Weight: 191.014
• DSSTox Substance ID: DTXSID701022137
• Nikkaji Number: J89.335H
• Mol file: 40100-99-0.mol

Synonyms:2,5-Dichloro-3-methyl-1,4-benzoquinone;40100-99-0;SCHEMBL9518440;DTXSID701022137

Chemical Property of 2,5-Dichloro-3-methyl-1,4-benzoquinone

Chemical Property:

• PSA: 34.14000
• LogP: 1.77370
• XLogP3: 2.1
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C=C(C1=O)Cl)Cl

Technology Process of 2,5-Dichloro-3-methyl-1,4-benzoquinone

There total 6 articles about 2,5-Dichloro-3-methyl-1,4-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:

3,6-dichloro-2-methyl-4-nitro-phenol (856180-48-8) → 2,5-dichloro-3-methyl-[1,4]benzoquinone (40100-99-0)

Guidance literature:

With hydrogenchloride; ethanol; tin(ll) chloride; anschliessend Behandeln mit Fe₂(SO₄)3;

DOI:10.1021/jo01142a026

Reference yield:

3-chloro-2-methyl-4-nitro-phenol (55289-28-6) → 2,5-dichloro-3-methyl-[1,4]benzoquinone (40100-99-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous acetic acid; chlorine

2: ethanol; SnCl₂; aqueous HCl / anschliessend Behandeln mit Fe₂(SO₄)3

With hydrogenchloride; ethanol; chlorine; acetic acid; tin(ll) chloride;

DOI:10.1021/jo01142a026

Reference yield:

2-chloro-6-methyl-[1,4]benzoquinone (1123-64-4) → 2,5-dichloro-3-methyl-[1,4]benzoquinone (40100-99-0)

Guidance literature:

With hydrogenchloride; man behandelt das Produkt mit Natriumbichromat und Essigsaeure;

upstream raw materials:

2-chloro-6-methyl-[1,4]benzoquinone

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

hydrogenchloride

ortho-cresol

Downstream raw materials:

4-cyano-2,5-dichloro-3-methyl-4-<(trimethylsilyl)oxy>-2,5-cyclohexadienone

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