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

Base Information

• Chemical Name: 1,4-Dichloro-2-fluoro-5-nitrobenzene
• CAS No.: 2624-66-0
• Molecular Formula: C₆H₂Cl₂FNO₂
• Molecular Weight: 209.992
• European Community (EC) Number: 875-369-1
• Mol file: 2624-66-0.mol

Synonyms:1,4-dichloro-2-fluoro-5-nitrobenzene;2624-66-0;Benzene, 1,4-dichloro-2-fluoro-5-nitro-;SCHEMBL9694173;CAA62466;EN300-3260133

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

Chemical Property:

• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 2 articles about 1,4-Dichloro-2-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: 98.0%

1,4-dichloro-2-fluorobenzene (348-59-4) → 1,4-dichloro-2-fluoro-5-nitrobenzene (2624-66-0)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 4.16667h;

Reference yield:

2,5 dichloroaniline (95-82-9) → 1,4-dichloro-2-fluoro-5-nitrobenzene (2624-66-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrochloric acid; aqueous sodium nitrite solution; aqueous tetrafluoroboric acid / Erhitzen des Reaktionsprodukts

2: sulfuric acid; aqueous nitric acid

With hydrogenchloride; tetrafluoroboric acid; sulfuric acid; nitric acid; sodium nitrite;

DOI:10.1021/ja01510a021

Reference yield: 92.0%

t-butyl malonate (541-16-2) + 1,4-dichloro-2-fluoro-5-nitrobenzene (2624-66-0) → di(tert-butyl) (2,5-dichloro-4-nitrophenyl)malonate (1093222-00-4)

Guidance literature:

t-butyl malonate; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

1,4-dichloro-2-fluoro-5-nitrobenzene; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1016/j.bmc.2008.10.020

upstream raw materials:

1,4-dichloro-2-fluorobenzene

2,5 dichloroaniline

Downstream raw materials:

2,5-dichloro-4-fluoroaniline

di(tert-butyl) (2,5-dichloro-4-nitrophenyl)malonate