2,4-Dichloro-3-methyl-6-nitrophenol

Base Information

• Chemical Name: 2,4-Dichloro-3-methyl-6-nitrophenol
• CAS No.: 39549-27-4
• Molecular Formula: C7H5Cl2NO3
• Molecular Weight: 222.028
• European Community (EC) Number: 254-502-1
• DSSTox Substance ID: DTXSID20885775
• Nikkaji Number: J27.338D
• Wikidata: Q72466812
• Mol file: 39549-27-4.mol

Synonyms:2,4-dichloro-3-methyl-6-nitrophenol;39549-27-4;Phenol, 2,4-dichloro-3-methyl-6-nitro-;2,4-Dichloro-6-nitro-m-cresol;EINECS 254-502-1;SCHEMBL6010888;DTXSID20885775;AKOS015888800;2,4-Dichloro-3-Methyl-6-Nitro Phenol;FT-0653567;2-NITRO-4,6-DICHLORO-5-METHYLPHENOL

Chemical Property of 2,4-Dichloro-3-methyl-6-nitrophenol

Chemical Property:

• Vapor Pressure: 0.00289mmHg at 25°C
• Melting Point: 77-78 °C
• Refractive Index: 1.622
• Boiling Point: 276.2 °C at 760 mmHg
• PKA: 4.84±0.50(Predicted)
• Flash Point: 120.8 °C
• Density: 1.587 g/cm³
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 220.9646484
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-3-methyl-6-nitrophenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])Cl

Technology Process of 2,4-Dichloro-3-methyl-6-nitrophenol

There total 9 articles about 2,4-Dichloro-3-methyl-6-nitrophenol 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%

2,3,6-trichloro-4-nitrotoluene (22548-85-2) → 2,4-Dichloro-3-methyl-6-nitro-phenol (39549-27-4)

Guidance literature:

With potassium hydroxide; In toluene; at 85 ℃; for 4h;

DOI:10.1080/00397919308013809

Reference yield: 85.0%

4-Chloro-3-methylphenol (59-50-7) → 2,4-Dichloro-3-methyl-6-nitro-phenol (39549-27-4)

Guidance literature:

With hydrogenchloride; chlorosulfonic acid; dihydrogen peroxide; nitric acid; In dichloromethane; water;

Reference yield: 64.0%

2,4-dichloro-3-methylphenol (17788-00-0) → 2,4-Dichloro-3-methyl-6-nitro-phenol (39549-27-4)

Guidance literature:

With sulfuric acid; nitric acid; acetic acid; for 2h; Ambient temperature;

DOI:10.1021/jm9801004

upstream raw materials:

2,4,6-trichloro-m-cresol

2,3,6-trichloro-4-nitrotoluene

2,4-dichloro-3-methylphenol

1-methyl-4-nitrobenzene

Downstream raw materials:

5,7-dichloro-2-mercapto-6-methylbenzoxazole

3,5-Dichloro-2-hydroxy-4-methylaniline