2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile
• CAS No.: 15895-68-8
• Molecular Formula: C₈F₇N
• Molecular Weight: 243.084
• Hs Code.: 2926909090
• European Community (EC) Number: 812-799-0
• NSC Number: 168759
• DSSTox Substance ID: DTXSID50305017
• Wikidata: Q82051425
• Mol file: 15895-68-8.mol

Synonyms:2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzonitrile;15895-68-8;4-CYANO-2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE;Benzonitrile, 2,3,5,6-tetrafluoro-4-(trifluoromethyl)-;NSC168759;4-CYANOTETRAFLUORO-BENZOTRIFLUORIDE;SCHEMBL9330078;DTXSID50305017;VMELTIALEZBKQS-UHFFFAOYSA-N;BBL103237;MFCD04972776;STL557047;AKOS017344407;NSC-168759

Chemical Property of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.821mmHg at 25°C
• Boiling Point: 182.2°Cat760mmHg
• Flash Point: 64°C
• PSA: 23.79000
• Density: 1.6g/cm³
• LogP: 3.13348
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 242.99189614
• Heavy Atom Count: 16
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile

There total 2 articles about 2,3,5,6-Tetrafluoro-4-(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:

4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene (17823-46-0) + copper(l) cyanide → 4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzonitrile (15895-68-8)

Guidance literature:

With FeCl₃; In N,N-dimethyl-formamide; 2 h refluxing; pouring in soln. of FeCl3 in HCl;

Reference yield:

→ 4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzonitrile (15895-68-8)

Guidance literature:

Reference yield:

4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzonitrile (15895-68-8) → C8F7N2Se2(1+)*Cl(1-)

Guidance literature:

4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzonitrile; With lithium hexamethyldisilazane; In diethyl ether; at 20 ℃; for 18h; Inert atmosphere;

With selenium(II) chloride; In diethyl ether; at 0 - 20 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.6b01771

upstream raw materials:

4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene

Refernces