2,4-Dichloro-3-fluoronitrobenzene

Base Information

• Chemical Name: 2,4-Dichloro-3-fluoronitrobenzene
• CAS No.: 393-79-3
• Molecular Formula: C6H2Cl2FNO2
• Molecular Weight: 209.992
• Hs Code.: 2904909090
• European Community (EC) Number: 865-806-4
• NSC Number: 10242
• DSSTox Substance ID: DTXSID40960033
• Nikkaji Number: J94.743A
• Wikidata: Q72466280
• Mol file: 393-79-3.mol

Synonyms:2,4-Dichloro-3-fluoronitrobenzene;393-79-3;1,3-dichloro-2-fluoro-4-nitrobenzene;2,4-Dichloro-3-Fluoro-1-nitrobenzene;Benzene, 1,3-dichloro-2-fluoro-4-nitro-;MFCD00042240;NSC10242;1,3-DICHLORO-2-FLUORO-4-NITRO-BENZENE;SCHEMBL306584;DTXSID40960033;NSC-10242;AKOS015888107;AC-9705;AM61948;CS-W002206;DS-1639;SY022868;FT-0632077;A19473;EN300-175092;J-507115;2-[trans-2-(4-Fluorophenyl)vinyl]-3-nitrobenzoic acid

Chemical Property of 2,4-Dichloro-3-fluoronitrobenzene

Chemical Property:

• Vapor Pressure: 0.00686mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 279.3 °C at 760 mmHg
• Flash Point: 122.7 °C
• PSA: 45.82000
• Density: 1.622 g/cm³
• LogP: 3.56390
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 208.9446619
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

99.0% ^*data from raw suppliers

2,4-Dichloro-3-fluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dichloro-3-fluoronitrobenzene

There total 5 articles about 2,4-Dichloro-3-fluoronitrobenzene 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: 94.0%

1,3-dichloro-2-fluorobenzene (2268-05-5) → 1,3-dichloro-2-fluoro-4-nitrobenzene (393-79-3)

Guidance literature:

With sulfuric acid; nitric acid; In dichloromethane; at 40 ℃; under 5250.53 Torr; Pressure; Solvent;

Reference yield:

3,4,5-trichloronitrobenzen (20098-48-0) → 1,3-dichloro-2-fluoro-4-nitrobenzene (393-79-3)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium fluoride; N-benzyl-N,N,N-triethylammonium chloride / 11 h / 140 - 175 °C

2.1: hydrogen / methanol / Inert atmosphere

3.1: nitrosylsulfuric acid / 6 h / 10 - 15 °C

3.2: 1 h

4.1: sulfuric acid; nitric acid / 2 h / Heating

With potassium fluoride; nitrosylsulfuric acid; sulfuric acid; N-benzyl-N,N,N-triethylammonium chloride; hydrogen; nitric acid; In methanol;

Reference yield:

3,5-dichloro-4-fluoro-nitrobenzene (3107-19-5) → 1,3-dichloro-2-fluoro-4-nitrobenzene (393-79-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogen / methanol / Inert atmosphere

2.1: nitrosylsulfuric acid / 6 h / 10 - 15 °C

2.2: 1 h

3.1: sulfuric acid; nitric acid / 2 h / Heating

With nitrosylsulfuric acid; sulfuric acid; hydrogen; nitric acid; In methanol;

upstream raw materials:

1,3-dichloro-2-fluorobenzene

2,6-Dichloroaniline

3,4,5-trichloronitrobenzen

3,5-dichloro-4-fluoro-nitrobenzene

Downstream raw materials:

2,3,4-trifluoronitrobenzene

2,4-dichloro-3-fluoroaniline

2-fluoro-3-chloro-6-nitrophenol

2-acetonyloxy-3-fluoro-4-chloronitrobenzene

Refernces

• 1、 -. "Preparation method of 3, 4, 5-trifluorobromobenzene". Paragraph 0100-0101; 0106; 0110. . Retrieved 2020/12/14.
• 2、 -. "By means of a micro channel reactor synthesis of 2,4-dichloro-3-fluoro-nitrobenzene method (by machine translation)". Paragraph 0084-0086. . Retrieved 2017/03/08.