4-Trifluoromethylthio-2-nitrochlorobenzene

Base Information

• Chemical Name: 4-Trifluoromethylthio-2-nitrochlorobenzene
• CAS No.: 404-73-9
• Molecular Formula: C7H3ClF3NO2S
• Molecular Weight: 257.621
• DSSTox Substance ID: DTXSID201230842

Synonyms:4-trifluoromethylthio-2-nitrochlorobenzene;SCHEMBL9182158;DTXSID201230842;AKOS034461696;404-73-9;1-Chloro-2-nitro-4-[(trifluoromethyl)thio]benzene;Z56857915

Chemical Property of 4-Trifluoromethylthio-2-nitrochlorobenzene

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 256.9525117
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1SC(F)(F)F)[N+](=O)[O-])Cl

Technology Process of 4-Trifluoromethylthio-2-nitrochlorobenzene

There total 3 articles about 4-Trifluoromethylthio-2-nitrochlorobenzene 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: 16.2%

1,1'-disulphanediylbis(4-chloro-3-nitrobenzene) (35964-48-8) + trifluoroacetic acid (76-05-1) → 1-chloro-2-nitro-4-(trifluoromethylthio)benzene (404-73-9)

Guidance literature:

With xenon difluoride; In dichloromethane; at -30 - 20 ℃;

DOI:10.1016/j.jfluchem.2004.03.008

Reference yield:

2-nitro-4-trifluoromethylsulfanyl-aniline (404-74-0) + copper(II) chloride (7447-39-4) → 1-chloro-2-nitro-4-(trifluoromethylthio)benzene (404-73-9)

Guidance literature:

With tert.-butylnitrite; In acetonitrile;

Reference yield:

→ 1-chloro-2-nitro-4-(trifluoromethylthio)benzene (404-73-9)

Guidance literature:

With hydrogen fluoride; at 50 - 100 ℃;

upstream raw materials:

1,1'-disulphanediylbis(4-chloro-3-nitrobenzene)

trifluoroacetic acid

2-nitro-4-trifluoromethylsulfanyl-aniline

copper(II) chloride

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