3,4,6-Trichloro-2-nitrophenol

Base Information

• Chemical Name: 3,4,6-Trichloro-2-nitrophenol
• CAS No.: 82-62-2
• Molecular Formula: C6H2 Cl3 N O3
• Molecular Weight: 242.44
• Hs Code.: 2908999090
• UNII: 71P46DZ42P
• DSSTox Substance ID: DTXSID0026206
• Nikkaji Number: J4.615I
• Wikidata: Q27265973
• Mol file: 82-62-2.mol

Synonyms:3,4,6-TRICHLORO-2-NITROPHENOL;82-62-2;Dowlap;6-Nitro-2,4,5-trichlorophenol;2-Nitro-3,4,6-trichlorophenol;Phenol, 2-nitro-3,4,6-trichloro-;CCRIS 6107;Phenol, 3,4,6-trichloro-2-nitro-;BRN 1973806;UNII-71P46DZ42P;71P46DZ42P;MFCD01707216;C6H2Cl3NO3;SCHEMBL5064995;C6-H2-Cl3-N-O3;DTXSID0026206;3,4,6-Trichlor-2-nitro-phenol;GEO-02045;AKOS005255116;GS-0687;LS-1816;TRICHLORO-2-NITROPHENOL, 3,4,6-;FT-0609787;3,4,6-TRICHLORO-2-NITROPHENOL [MI];EN300-117188;A840392;A899701;Q27265973;2,4-DIHYDROXY-3-(P-METHOXYPHENYL)-PROPIOPHENONE

Chemical Property of 3,4,6-Trichloro-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.00416mmHg at 25°C
• Melting Point: 92.5°C
• Refractive Index: 1.6490 (estimate)
• Boiling Point: 270.3°C at 760 mmHg
• Flash Point: 117.3°C
• PSA: 66.05000
• Density: 2.217g/cm³
• LogP: 3.78380
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 240.910026
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

6-NITRO-2,4,5-TRICHLOROPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])O)Cl

Technology Process of 3,4,6-Trichloro-2-nitrophenol

There total 4 articles about 3,4,6-Trichloro-2-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: 80.0%

2,4,5-trichlorophenol (95-95-4) → 2-nitro-3,4,6-trichlorophenol (82-62-2)

Guidance literature:

With sulfuric acid; nitric acid; sodium nitrite; In water; propionic acid;

DOI:10.1021/jo960290v

Reference yield:

2,5 dichloroaniline (95-82-9) → 2-nitro-3,4,6-trichlorophenol (82-62-2)

Guidance literature:

Multi-step reaction with 3 steps

1: Diazotization

2: chlorine; glacial acetic acid / Einleiten von CO₂

3: glacial acetic acid; aqueous HNO₃

With nitric acid; chlorine; acetic acid;

DOI:10.1007/BF01532295

Reference yield:

2,5-dichlorophenol (583-78-8) → 2-nitro-3,4,6-trichlorophenol (82-62-2)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorine; glacial acetic acid / Einleiten von CO₂

2: glacial acetic acid; aqueous HNO₃

With nitric acid; chlorine; acetic acid;

DOI:10.1007/BF01532295

upstream raw materials:

2,4,5-trichlorophenol

2,5 dichloroaniline

1,2,4,5-tetrachlorobenzene

2,5-dichlorophenol

Downstream raw materials:

Cyclohexyl-carbamic acid 3,4,6-trichloro-2-nitro-phenyl ester

Ethyl-carbamic acid 3,4,6-trichloro-2-nitro-phenyl ester

Butyl-carbamic acid 3,4,6-trichloro-2-nitro-phenyl ester

(3-Chloro-phenyl)-carbamic acid 3,4,6-trichloro-2-nitro-phenyl ester

Refernces