241154-09-6

Basic information

• Product Name: 2,3,5-TRIFLUOROBENZONITRILE
• Synonyms: 2,3,5-TRIFLUOROBENZONITRILE;3,5-Trifluorobenzonitrile
• CAS NO: 241154-09-6
• Molecular Formula: C₇H₂F₃N
• Molecular Weight: 157.09
• Product Categories: Aromatic Nitriles;Nitrile;Fluorine series
• Mol File: 241154-09-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 170.7°Cat760mmHg
• Flash Point: 57°C
• Appearance: /
• Density: 1.36
• Vapor Pressure: 1.45mmHg at 25°C
• Refractive Index: 1.4700
• CAS DataBase Reference: 2,3,5-TRIFLUOROBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3,5-TRIFLUOROBENZONITRILE(241154-09-6)
• EPA Substance Registry System: 2,3,5-TRIFLUOROBENZONITRILE(241154-09-6)

Safety Data

• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-36-36/37-23-9
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 241154-09-6(Hazardous Substances Data)

Usage

General Description

2,3,5-Trifluorobenzonitrile is a chemical compound with the molecular formula C7H3F3N. It is a colorless to light yellow liquid with a slightly sweet odor. 2,3,5-TRIFLUOROBENZONITRILE is primarily used as an intermediate in the production of various agricultural, pharmaceutical, and industrial chemicals. It is also used as a building block in organic synthesis for the production of other fluorinated compounds. 2,3,5-Trifluorobenzonitrile is classified as a hazardous substance due to its potential toxic effects on the environment and human health. It is important to handle and dispose of this compound with care, following proper safety protocols and regulations.

InChI:InChI=1/C7H2F3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H

Upstream product

• 16582-93-7 C₇HF₄N^(1-) 
• 773-82-0 Pentafluorobenzonitrile 

Relevant articles and documents

Hydrodefluorination of functionalized fluoroaromatics with triethylphosphine: A theoretical and experimental study

Recently we reported the metal free hydrodefluorination of selected fluoroaromatics using triethylphosphine as the sole defluorinating agent. That prompted us to evaluate the mechanistic proposal and in the light of these results, along with new experimental evidence, we have now modified the initial proposal. The new mechanism avoids the highly energetic β-elimination step of roughly 71 kcal mol-1 for hexafluorobenzene and pentafluoropyridine at 393.15 K, invoking the participation of water. The use of D2O confirmed the role of water as the hydrogen source, yielding the corresponding deutero-defluorinated products; DFT calculations agree with this new proposed mechanism. We also report herein the use of this one-pot hydrodefluorination method applied to a broader number of fluoroaromatic derivatives; some of them allowed the collection of key mechanistic evidence.

Aromatic radical-anions. XII. A cyclic amperometric and ESR study of the transformations of polyfluorinated benzonitrile radical-anions

Cyclic voltamperometry and ESR spectrometry were used to study the chemical transformations of radical-anions of benzonitrile derivatives containing from two to five fluorine atoms.Two types of transformations were found to be characteristic for such species, namely, the elimination of a fluoride anion and subsequent formation of defluorination products and dimerization with the subsequent formation of fluorinated derivatives of 4,4'-dicyanodiphenyl.The facility of these processes depends significantly on the number and arrangement of the fluorine atoms in the benzene ring.The relationship between the electronic structure and reactivity of fluorinated benzonitrile radical-anions was examined.