4-Chloro-3,5-difluorobenzonitrile

Base Information

• Chemical Name: 4-Chloro-3,5-difluorobenzonitrile
• CAS No.: 144797-57-9
• Molecular Formula: C7H2ClF2N
• Molecular Weight: 173.549
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00599085
• Wikidata: Q82494933
• Mol file: 144797-57-9.mol

Synonyms:4-Chloro-3,5-difluorobenzonitrile;144797-57-9;Benzonitrile, 4-chloro-3,5-difluoro-;3,5-difluoro-4-chlorobenzonitrile;SCHEMBL524221;DTXSID00599085;CL8210;MFCD18415564;AKOS015850063;AC-28622;DS-14503;4-Chloro-3 pound not5-difluorobenzonitrile;DB-358027;CS-0028288;A884727

Chemical Property of 4-Chloro-3,5-difluorobenzonitrile

Chemical Property:

• Boiling Point: 206.7±35.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 2.48988
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.9843831
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-3,5-difluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-3,5-difluorobenzonitrile

There total 1 articles about 4-Chloro-3,5-difluorobenzonitrile 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:

→ 4-chloro-3,5-difluorobenzonitrile (144797-57-9)

Guidance literature:

Reference yield: 94.9%

4-chloro-3,5-difluorobenzonitrile (144797-57-9) → 4-chloro-3,5-difluoro-2-nitrobenzoic acid

Guidance literature:

4-chloro-3,5-difluorobenzonitrile; With sulfuric acid; for 1h; Cooling with ice;

With sulfuric acid; nitric acid; at 102 ℃; for 6h; Cooling with ice;

With sodium nitrite; In water; at 0 - 120 ℃; for 20h;

DOI:10.3184/174751915X14358518790739

Reference yield:

4-chloro-3,5-difluorobenzonitrile (144797-57-9) → 2-amino-4-chloro-3,5-difluorobenzoic acid

Guidance literature:

Multi-step reaction with 2 steps

1.1: sulfuric acid / 1 h / Cooling with ice

1.2: 6 h / 102 °C / Cooling with ice

1.3: 20 h / 0 - 120 °C

2.1: hydrogen; palladium 10% on activated carbon / methanol / 5 h / 20 °C / 7500.75 Torr / Autoclave; Green chemistry

With sulfuric acid; palladium 10% on activated carbon; hydrogen; In methanol;

DOI:10.3184/174751915X14358518790739

Refernces

• 1、 -. "SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS". Page/Page column 34. . Retrieved 2011/08/21.