4-Chloro-2,5,6-trifluorobenzene-1,3-diamine

Base Information

• Chemical Name: 4-Chloro-2,5,6-trifluorobenzene-1,3-diamine
• CAS No.: 359786-37-1
• Molecular Formula: C6H4ClF3N2
• Molecular Weight: 196.559
• DSSTox Substance ID: DTXSID80573727
• Nikkaji Number: J3.512.243E
• Wikidata: Q82462539
• Mol file: 359786-37-1.mol

Synonyms:4-Chloro-2,5,6-trifluorobenzene-1,3-diamine;359786-37-1;SCHEMBL5333263;DTXSID80573727;4-chloro-2,5,6-trifluoro-1,3-phenylenediamine

Chemical Property of 4-Chloro-2,5,6-trifluorobenzene-1,3-diamine

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 196.0015103
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)Cl)N)F)N

Technology Process of 4-Chloro-2,5,6-trifluorobenzene-1,3-diamine

There total 7 articles about 4-Chloro-2,5,6-trifluorobenzene-1,3-diamine 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: 70.0%

4-chloro-2,3,5,6-tetrafluoroaniline (4218-94-4) → 4-chloro-2,5,6-trifluoro-1,3-phenylenediamine (359786-37-1)

Guidance literature:

With ammonia; at -33 - 155 ℃; for 200h; regioselective reaction; Autoclave; Sealed tube;

DOI:10.1016/j.jfluchem.2015.09.003

Reference yield: 56.0%

1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) → 4-chloro-2,3,5,6-tetrafluoroaniline (4218-94-4) + 4-chloro-2,5,6-trifluoro-1,3-phenylenediamine (359786-37-1) + 2-chloro-4,5,6-trifluoro-1,3-phenylenediamine

Guidance literature:

With ammonium hydroxide; at 180 ℃; for 48h;

DOI:10.1023/A:1012492726911

Reference yield: 38.0%

1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) → 2,3,5,6-tetrafluorobenzene-1,4-diamine (1198-64-7) + 2,3,5,6-tetrafluoroaniline (700-17-4) + 3,4,5,6-tetrafluoro-benzene-1,2-diamine (2993-07-9) + 4-chloro-2,5,6-trifluoro-1,3-phenylenediamine (359786-37-1)

Guidance literature:

With ammonium hydroxide; copper(I) bromide; at 120 ℃; for 48h; Further byproducts given;

DOI:10.1023/A:1012492726911

upstream raw materials:

1-chloro-2,3,4,5,6-pentafluorobenzene

4-chloro-2,3,5,6-tetrafluoroaniline

Downstream raw materials:

2,4,5-trifluoro-1,3-phenylenediamine