4-Chloro-2,5-difluoroaniline

Base Information

• Chemical Name: 4-Chloro-2,5-difluoroaniline
• CAS No.: 2613-30-1
• Molecular Formula: C6H4ClF2N
• Molecular Weight: 163.554
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID60562336
• Wikidata: Q82446447
• Mol file: 2613-30-1.mol

Synonyms:4-Chloro-2,5-difluoroaniline;2613-30-1;4-chloro-2,5-difluorophenylamine;Benzenamine, 4-chloro-2,5-difluoro-;MFCD06808807;SCHEMBL1397082;4-chloro-2, 5-difluoroaniline;4-Chloro-2,5-difluoro-aniline;DTXSID60562336;4-Chloro-2,5-difluorobenzenamine;PYRVOUSDQGBZRG-UHFFFAOYSA-N;CAA61330;CL9321;AKOS006285043;AS-19855;SY239614;CS-0157839;EN300-175818;A924814

Chemical Property of 4-Chloro-2,5-difluoroaniline

Chemical Property:

• Boiling Point: 214.7±35.0 °C(Predicted)
• PKA: 1.55±0.10(Predicted)
• PSA: 26.02000
• Density: 1.459±0.06 g/cm3(Predicted)
• LogP: 2.78160
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.0000331
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

97% purity ^*data from raw suppliers

4-Chloro-2,5-difluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-2,5-difluoroaniline

There total 5 articles about 4-Chloro-2,5-difluoroaniline 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: 80.0%

1-Chloro-2,5-difluoro-4-nitrobenzene (578-28-9) → 4-chloro-2,5-difluoroaniline (2613-30-1)

Guidance literature:

With iron; acetic acid; at 110 ℃; for 3h;

Reference yield:

4-chloro-aniline (106-47-8) → 2-fluoro-4-chloroaniline (57946-56-2) + 4-chloro-3-fluoroaniline (367-22-6) + 4-chloro-3,5-difluorobenzenamine (2613-33-4) + 4-chloro-2,5-difluoroaniline (2613-30-1)

Guidance literature:

With trifluorormethanesulfonic acid; fluorine; at 20 ℃; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1016/j.jfluchem.2005.02.013

Reference yield:

1-Chloro-2,5-difluoro-4-nitrobenzene (578-28-9) + iron (7439-89-6) → 4-chloro-2,5-difluoroaniline (2613-30-1)

Guidance literature:

In acetic acid; ethyl acetate;

upstream raw materials:

4-chloro-aniline

1-Chloro-2,5-difluoro-4-nitrobenzene

iron

1-chloro-2,5-difluorobenzene

Downstream raw materials:

4-chloro-2,5-difluoro-phenol

1-bromo-4-chloro-2,5-difluorobenzene

ethyl (4-chloro-3,6-difluoro-2-nitrophenyl)carbamate

Refernces

• 1、 -. "SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH". Paragraph 0261. . Retrieved 2016/05/02.
• 2、 -. "2-(SUBSTITUTED PHENYL)-6-AMINO-5-ALKOXY, THIOALKOXY AND AMINOALKYL-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES". Page/Page column 8. . Retrieved 2009/04/24.