2-Chloro-5-fluoro-1,3-dinitrobenzene

Base Information

• Chemical Name: 2-Chloro-5-fluoro-1,3-dinitrobenzene
• CAS No.: 62558-39-8
• Molecular Formula: C6H2ClFN2O4
• Molecular Weight: 220.544
• DSSTox Substance ID: DTXSID90494050

Synonyms:2-Chloro-5-fluoro-1,3-dinitrobenzene;62558-39-8;SCHEMBL1822002;DTXSID90494050;JSXJYGLDJJHAPT-UHFFFAOYSA-N;2-chloro-5-fluoro-1,3-dinitro-benzene

Chemical Property of 2-Chloro-5-fluoro-1,3-dinitrobenzene

Chemical Property:

• PSA: 91.64000
• LogP: 3.34190
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 219.9687124
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-5-fluoro-1,3-dinitrobenzene

There total 3 articles about 2-Chloro-5-fluoro-1,3-dinitrobenzene 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: 83.0%

4-fluoro-2,6-dinitrophenol (364-32-9) → 2-chloro-5-fluoro-1,3-dinitro-benzene (62558-39-8)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In benzene; at 20 ℃; for 1.58333h; Heating / reflux;

Reference yield:

4-Fluorophenol (371-41-5) → 2-chloro-5-fluoro-1,3-dinitro-benzene (62558-39-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid

2: thionyl chloride

With thionyl chloride; sulfuric acid; nitric acid;

DOI:10.2174/157017811795038331

Reference yield:

→ 2-chloro-5-fluoro-1,3-dinitro-benzene (62558-39-8)

Guidance literature:

4-Fluorphenol, 1. HNO3, HAc, 2. POCl3, DMF;

DOI:10.1021/jf60181a010

upstream raw materials:

4-fluoro-2,6-dinitrophenol

4-Fluorophenol

Downstream raw materials:

Dimethyl-thiocarbamic acid S-[2-(2-dimethylcarbamoylsulfanyl-5-fluoro-3-nitro-phenyldisulfanyl)-4-fluoro-6-nitro-phenyl] ester

N-methyl-4-fluoro-2,6-dinitroaniline

4-fluoro-2,6-dinitrobenzonitrile

dimethyl 2-(4-fluoro-2,6-dinitrophenyl)malonate

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