2,3,6-Trifluorobenzonitrile

Base Information

• Chemical Name: 2,3,6-Trifluorobenzonitrile
• CAS No.: 136514-17-5
• Molecular Formula: C7H2F3N
• Molecular Weight: 157.095
• Hs Code.: 29269090
• Mol file: 136514-17-5.mol

Synonyms:2,3,6-TRIFLUOROBENZONITRILE;Benzonitrile, 2,3,6-trifluoro- (9CI);3-flurobenzalcohol;2,3,6-Trifluorobenzonitrile 99%;2,3,6-Trifluorobenzonitrile99%;2,4-dichloro-3-cyano-5-fluorobenzoic acid

Chemical Property of 2,3,6-Trifluorobenzonitrile

Chemical Property:

• Vapor Pressure: 4.73mmHg at 25°C
• Refractive Index: n20/D 1.4706(lit.)
• Boiling Point: 173.1 °C at 760 mmHg
• Flash Point: 58.5 °C
• PSA: 23.79000
• Density: 1.37 g/cm³
• LogP: 1.97558

Purity/Quality:

97% ^*data from raw suppliers

2,3,6-Trifluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, T, Xn
• Hazard Codes: T,Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37-38-36-23-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 2,3,6-Trifluorobenzonitrile

There total 2 articles about 2,3,6-Trifluorobenzonitrile 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:

N?cyanosuccinimide (135205-66-2) + (2,3,6-trifluorophenyl)boronic acid (247564-71-2) → 2,3,6-trifluorobenzonitrile (136514-17-5)

Guidance literature:

With potassium phosphate; bis[2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC]bis[μ-(methanesulfonato-κO:κO)]dipalladium; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 120 ℃; for 12h;

DOI:10.1002/hlca.202100200

Reference yield:

C7HF4N(1-) (69173-96-2) → 2,3,6-trifluorobenzonitrile (136514-17-5) + 2,3,5,2',3',5'-Hexafluoro-biphenyl-4,4'-dicarbonitrile

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield: 98.4%

2,3,6-trifluorobenzonitrile (136514-17-5) → 2-amino-3,6-difluorobenzonitrile (190011-81-5)

Guidance literature:

With ammonium hydroxide; In isopropyl alcohol; at 80 ℃; Sealed vial;

upstream raw materials:

C₇HF₄N^(1-)

N?cyanosuccinimide

(2,3,6-trifluorophenyl)boronic acid

Downstream raw materials:

2,3,6-trifluorobenzylamine

4-(2-cyano-3,6-difluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

2,3,6-trifluorobenzoic acid

2-amino-3,6-difluorobenzonitrile

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