2,3-Difluoro-6-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 2,3-Difluoro-6-(trifluoromethyl)benzonitrile
• CAS No.: 186517-05-5
• Molecular Formula: C8H2 F5 N
• Molecular Weight: 207.103
• Hs Code.: 2926909090
• European Community (EC) Number: 813-278-0
• DSSTox Substance ID: DTXSID70435648
• Nikkaji Number: J3.426.312D
• Wikidata: Q82250700
• Mol file: 186517-05-5.mol

Synonyms:2,3-difluoro-6-(trifluoromethyl)benzonitrile;186517-05-5;Benzonitrile, 2,3-difluoro-6-(trifluoromethyl)-;SCHEMBL6706548;AMY8665;DTXSID70435648;MFCD06658270;AKOS015998673;AS-33376;2,3-difluoro-6-trifluoromethylbenzonitrile;2,3-difluoro-6- trifluoromethylbenzonitrile;2-CYANO-3,4-DIFLUOROTRIFLUOROTOLUENE;CS-0157886;FT-0643775;A813048

Chemical Property of 2,3-Difluoro-6-(trifluoromethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.523mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 191.1°Cat760mmHg
• Flash Point: 69.4°C
• PSA: 23.79000
• Density: 1.45g/cm³
• LogP: 2.85528
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 207.01073988
• Heavy Atom Count: 14
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Difluoro-6-(trifluoromethyl)benzonitrile ^*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)C#N)F)F

Technology Process of 2,3-Difluoro-6-(trifluoromethyl)benzonitrile

There total 3 articles about 2,3-Difluoro-6-(trifluoromethyl)benzonitrile 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: 84.4%

2,3-difluoro-6-trifluoromethylbenzaldehyde oxime → 2,3-difluoro-6-trifluoromethylbenzonitrile (186517-05-5)

Guidance literature:

In acetic anhydride; ethyl acetate;

Reference yield:

2,3-dichloro-6-trifluoromethylbenzonitrile (186517-39-5) → 2,3-difluoro-6-trifluoromethylbenzonitrile (186517-05-5)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In sulfolane;

Reference yield:

3-chloro-2-fluoro-6-(trifluoromethyl)benzonitrile → 2,3-difluoro-6-trifluoromethylbenzonitrile (186517-05-5)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In sulfolane;

upstream raw materials:

2,3-dichloro-6-trifluoromethylbenzonitrile

Downstream raw materials:

2,3-difluoro-6-trifluoromethylbenzamidoxime

2,3-difluoro-6-trifluoromethylbenzaldehyde

Refernces

• 1、 -. "2,3-Dihalogeno-6-trifluoromethylbenzene derivatives and processes for the preparation thereof". . . Retrieved 2008/06/13.