2,4,6-Trichloro-m-cresol

Base Information

• Chemical Name: 2,4,6-Trichloro-m-cresol
• CAS No.: 551-76-8
• Molecular Formula: C7H5 Cl3 O
• Molecular Weight: 211.475
• Hs Code.: 2908199090
• UNII: D0H0QF5KL9
• DSSTox Substance ID: DTXSID30203623
• Nikkaji Number: J28.694J
• Wikidata: Q27275937
• Mol file: 551-76-8.mol

Synonyms:2,4,6-Trichloro-m-cresol;2,4,6-TRICHLORO-3-METHYLPHENOL;551-76-8;Phenol, 2,4,6-trichloro-3-methyl-;UNII-D0H0QF5KL9;D0H0QF5KL9;2,4,6-Trichlor-m-kresol;SCHEMBL10771021;DTXSID30203623;2,4,6-trichloro-3-hydroxytoluene;M-CRESOL, 2,4,6-TRICHLORO-;2,4,6-TRICHLORO-M-CRESOL [MI];Q27275937

Chemical Property of 2,4,6-Trichloro-m-cresol

Chemical Property:

• Melting Point: 46°C
• Refractive Index: 1.5510 (estimate)
• Boiling Point: 275.7°Cat760mmHg
• PKA: 6.71±0.28(Predicted)
• Flash Point: 115.2°C
• PSA: 20.23000
• Density: 1.082g/cm³
• LogP: 3.66080
• Water Solubility.: 112.1mg/L(25 oC)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.940598
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1Cl)Cl)O)Cl

Technology Process of 2,4,6-Trichloro-m-cresol

There total 17 articles about 2,4,6-Trichloro-m-cresol 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-methyl-phenol (108-39-4) → 2,4,6-trichloro-m-cresol (551-76-8)

Guidance literature:

With sodium hydroxide; chlorine; at 20 - 40 ℃;

Reference yield:

4-Chloro-3-methylphenol (59-50-7) → 2,4,6-trichloro-m-cresol (551-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform; chlorine / 0 °C

2: chloroform; chlorine (1 mol)

With chloroform; chlorine;

DOI:10.1021/ja01337a056

Reference yield:

2-chloro-m-cresol (608-26-4) → 2,4,6-trichloro-m-cresol (551-76-8)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform; chlorine / 0 °C

2: chloroform; chlorine (1 mol)

With chloroform; chlorine;

DOI:10.1021/ja01337a056

upstream raw materials:

3-methyl-2,6-dichlorophenol

2,4-dichloro-3-methylphenol

4,6-dichloro-3-methylphenol

3-methyl-phenol

Downstream raw materials:

2,2,4,5,6,6-hexachloro-3-methyl-cyclohex-3-enone

2-(3'-methyl-2',4',6'-trichlorophenoxy)-4,4-dimethoxy-5-methyl-6-chlorocyclohexadien-2,5-one

3,5-Dichloro-4-(2,4,6-trichloro-3-methyl-phenoxy)-phenylamine

3,5-dichloro-2-methyl-hydroquinone

Refernces