1,2-Dichloro-4-fluoro-5-nitrobenzene

Base Information

• Chemical Name: 1,2-Dichloro-4-fluoro-5-nitrobenzene
• CAS No.: 2339-78-8
• Molecular Formula: C6H2Cl2FNO2
• Molecular Weight: 209.992
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID90336466
• Nikkaji Number: J1.491.523K
• Wikidata: Q72466271
• Mol file: 2339-78-8.mol

Synonyms:1,2-Dichloro-4-fluoro-5-nitrobenzene;2339-78-8;4,5-Dichloro-2-fluoronitrobenzene;Benzene, 1,2-dichloro-4-fluoro-5-nitro-;4,5-dichloro-2-fluoro-1-nitrobenzene;SCHEMBL123793;DTXSID90336466;MFCD00075330;AKOS015850065;AC-9707;AM61854;CS-W015130;DS-14272;D4694;FT-0600881;1,2-Dichloro-4-fluoro-5-nitrobenzene, 95%;A20576;EN300-152728

Chemical Property of 1,2-Dichloro-4-fluoro-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 1.34E-12mmHg at 25°C
• Melting Point: 17 °C(lit.)
• Refractive Index: n20/D 1.575(lit.)
• Boiling Point: 247 °C(lit.)
• Flash Point: 113 ºC
• PSA: 45.82000
• Density: 1.596
• LogP: 3.56390
• Storage Temp.: Room temperature.
• XLogP3: 3
• 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:

98%,99%, ^*data from raw suppliers

1,2-Dichloro-4-fluoro-5-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)F)[N+](=O)[O-]
• Uses: 1,2-Dichloro-4-fluoro-5-nitrobenzene may be used in the combinatorial solid-phase synthesis of bis-heterocyclic compounds. It was employed as solute to investigate the possibility of selective excitation in coupled multispin systems.

Technology Process of 1,2-Dichloro-4-fluoro-5-nitrobenzene

There total 2 articles about 1,2-Dichloro-4-fluoro-5-nitrobenzene 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:

3,4-dichlorofluorobenzene (1435-49-0) → 1,2-dichloro-4-fluoro-5-nitrobenzene (2339-78-8)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/ja01510a021

Reference yield:

1,2-dichloro-4,5-dinitrobenzene (6306-39-4) → 1,2-dichloro-4-fluoro-5-nitrobenzene (2339-78-8)

Guidance literature:

With fluoride;

Reference yield: 100.0%

2-(morpholin-4-yl)ethanol (622-40-2) + 1,2-dichloro-4-fluoro-5-nitrobenzene (2339-78-8) → 4-[2-(4,5-dichloro-2-nitrophenoxy)ethyl]morpholine

Guidance literature:

2-(morpholin-4-yl)ethanol; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.166667h;

1,2-dichloro-4-fluoro-5-nitrobenzene; In tetrahydrofuran; mineral oil; at 0 ℃; for 1h;

upstream raw materials:

3,4-dichlorofluorobenzene

1,2-dichloro-4,5-dinitrobenzene

Downstream raw materials:

4,5-dichloro-2-fluoro-phenylamine

(4,5-dichloro-2-nitro-phenyl)-phenyl-amine

2-(4,5-Dichloro-2-nitro-phenyl)-malonic acid diethyl ester

4-(4,5-dichloro-2-nitro-anilino)-butan-1-ol

Refernces