2,6-Dichloro-3-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2,6-Dichloro-3-(trifluoromethyl)aniline
• CAS No.: 6656-72-0
• Molecular Formula: C7H4Cl2F3N
• Molecular Weight: 230.017
• Hs Code.: 2921490090
• European Community (EC) Number: 678-994-6
• Mol file: 6656-72-0.mol

Synonyms:2,6-Dichloro-3-(trifluoromethyl)aniline;6656-72-0;2,6-Dichloro-3-trifluoromethylaniline;SCHEMBL374673;MFCD11226279;2,6-dichloro-3-trifluoromethyl-anilin;AKOS015956604;JS-4856;2,6-dichloro-3-trifluoromethyl aniline;2,6-dichloro-3-trifluoromethyl-aniline;G61895;EN300-1642542;A867426

Chemical Property of 2,6-Dichloro-3-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.0512mmHg at 25°C
• Refractive Index: 1.5230
• Boiling Point: 98.5-103 °C(Press: 9 Torr)
• PKA: -0.51±0.10(Predicted)
• Density: 1.542±0.06 g/cm3(Predicted)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 228.9672890
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dichloro-3-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(F)(F)F)Cl)N)Cl

Technology Process of 2,6-Dichloro-3-(trifluoromethyl)aniline

There total 4 articles about 2,6-Dichloro-3-(trifluoromethyl)aniline 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:

Langlois reagent (2926-29-6) + 2,6-Dichloroaniline (608-31-1) → 2,6-dichloro-4-(trifluoromethyl)aniline (24279-39-8) + 2,6-dichloro-3-trifluoromethyl aniline (6656-72-0)

Guidance literature:

With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate); In water; acetonitrile; at 20 ℃; for 2.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/0040-4039(91)80524-A

Reference yield:

1,3-dichloro-2-nitro-4-(trifluoromethyl)benzene (203915-49-5) → 2,6-dichloro-3-trifluoromethyl aniline (6656-72-0)

Guidance literature:

With hydrogen; nickel; In methanol; at 20 ℃;

Reference yield:

3-amino-4-chlorobenzotrifluoride (121-50-6) → 2,6-dichloro-3-trifluoromethyl aniline (6656-72-0)

Guidance literature:

With N-chloro-succinimide;

upstream raw materials:

Langlois reagent

2,6-Dichloroaniline

1,3-dichloro-2-nitro-4-(trifluoromethyl)benzene

3-amino-4-chlorobenzotrifluoride

Downstream raw materials:

2-(2,6-Dichloro-3-trifluoromethyl-phenylamino)-benzoic acid

Refernces

• 1、 Langlois, Bernard R.,Laurent, Eliane,Roidot, Nathalie. "Trifluoromethylation of aromatic compounds with sodium trifluoromethanesulfinate under oxidative conditions". . p. 7525 - 7528. Retrieved 2007/10/02.
• 2、 -. "Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides". . . Retrieved 2008/06/13.