98349-22-5

Basic information

• Product Name: 2,4,5-Trifluorobenzonitrile
• Synonyms: Benzonitrile, 2,4,5-trifluoro-;2,4,5-TRIFLUOROBENZONITRILE;3-flurophenol;2,4,5-Trifluorobenzonitrile 99%;2,4,5-Trifluorobenzonitrile99%;2，4，5-trifluorobenzoinitrile;2,4,5-Trifluorobenzonitrile, 98+%
• CAS NO: 98349-22-5
• Molecular Formula: C₇H₂F₃N
• Molecular Weight: 157.09
• Product Categories: Nitrogen Compounds;Fluorine series;Piperidines ,Homopiperidines;FINE Chemical & INTERMEDIATES;Aromatic Nitriles;Nitrile;Miscellaneous;C6 to C7;Cyanides/Nitriles
• Mol File: 98349-22-5.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 168-170 °C
• Flash Point: 182 °F
• Appearance: clear colourless liquid
• Density: 1.373 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.891mmHg at 25°C
• Refractive Index: n20/D 1.4736(lit.)
• BRN: 5427045
• CAS DataBase Reference: 2,4,5-Trifluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,5-Trifluorobenzonitrile(98349-22-5)
• EPA Substance Registry System: 2,4,5-Trifluorobenzonitrile(98349-22-5)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26-36-36/37-23-9
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 98349-22-5(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 98349-22-5 differently. You can refer to the following data:
1. 2,4,5-Trifluorobenzonitrile can be used as pairs of pseudopure states for 4- and 5-qubit NMR systems.
2. 2,4,5-Trifluorobenzonitrile was used in preparation of novel linker in solid phase synthesis, 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid.

General Description

Raman and FTIR spectra of 2,4,5- Trifluorobenzonitrile was studied. Highly regioselective substitution reaction of 2,4,5-trifluorobenzonitrile was reported.

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

Upstream product

• 327-52-6 1-bromo-2,4,5-trifluorobenzene 
• 544-92-3 copper(I) cyanide 
• 128593-93-1 2,4-dichloro-5-fluoro-benzonitrile 
• 773-82-0 Pentafluorobenzonitrile 
• 168644-93-7 (2,4,5-trifluorophenyl)methanamine 
• 773837-37-9 sodium cyanide 
• 6415-38-9 benzenediazonium sulphate 

Downstream Products

• 158230-12-7 1-(4-cyano-2,5-difluorophenyl)-4-methyl-3-dimethylamino-1,2,4-triazolin-5-one 
• 158230-15-0 1-(4-cyano-2,5-difluorophenyl)-4-amino-3-dimethylamino-1,2,4-triazolin-5-one 
• 157277-61-7 2-(2.5-difluoro-4-cyano-phenyl)-4-methyl-5-trifluoromethyl-2,4-dihydro-3H-1,2,4-triazol-3-one 
• 173193-65-2 3-(4-cyano-2,5-difluoro-phenyl)-4-isopropyl-oxazolin-2-one 
• 186142-39-2 2-(2,5-difluoro-4-cyano-phenyl)-4-chloro-5-methoxy-pyridazin-3-one 
• 186142-38-1 2-(2,5-difluoro-4-cyano-phenyl)-6-methyl-pyridazin-3-one 
• 195524-88-0 2-(2,5-difluoro-4-cyano-phenyl)-1,2,4-triazine-3,5(2H,4H)-dione 
• 390412-38-1 2,5-difluoro-4-[2-oxo-4-(trifluoromethyl)-1-(2H)-pyridinyl]benzonitrile 
• 609789-84-6 4-[(1-benzylpiperidin-4-yl)amino]-2,5-difluorobenzonitrile 
• 169455-30-5 3-(4-cyano-2,5-difluoro-phenylthio)-1H-1,2,4-triazole 
• 98349-24-7 ethyl 2,4,5-trifluorobenzoylacetate 
• 88419-56-1 2,4,5-trifluorobenzoyl chloride 

Relevant articles and documents

Preparation method of fluorine-containing aryl compound

The invention relates to the field of organic synthesis, and especially relates to a preparation method of a fluorine-containing aryl compound. The invention provides a preparation method of a compound as shown in a formula 1. The preparation method comprises the following steps: fluorination reaction: reacting a compound as shown in a formula 2 with alkali metal fluoride in the presence of a phase transfer catalyst to prepare the compound as shown in the formula 1. According to the preparation method of the fluorine-containing aryl compound provided by the invention, a reaction system does not contain a solvent, the boiling point of the phase transfer catalyst is relatively high, solvent interference is avoided during rectification or short steaming after the reaction is finished, the distillation yield is high, and the product purity is good.

Synthesis of nitriles from amines using nanoscale Co3O4-based catalysts via sustainable aerobic oxidation

The selective oxidation of amines for the benign synthesis of nitriles under mild conditions is described. Key to success for this transformation is the application of reusable cobalt oxide-based nanocatalysts. The resulting nitriles constitute key precursors and central intermediates in organic synthesis.

CYCLIC AMINE COMPOUND

A compound represented by the formula (I) or a salt thereof: (I) wherein the ring A represents a 5- to 8-membered ring which may have additional substituent besides R6, R7 and R8; R1 represents an electron-attracting group; R2, R3, R4 and R5 independently represent a hydrogen atom, a halogen atom, a group attached through a carbon atom, a group attached through a nitrogen atom, a group attached through an oxygen group, or a group attached through a sulfur atom; R6 represents a halogen atom, a group attached through a carbon atom, a group attached through a nitrogen atom, a group attached through an oxygen group, or a group attached through a sulfur atom, and R7 represents a cyano group, a nitro group, an acyl group which may have a substituent, a carboxyl group which may be esterified or amidated, or a hydrocarbon group which may have a substituent, or R6 and R7 together with a carbon atom to which they are attached may form a ring which may have a substituent; and R8 represents a hydrogen atom, a halogen atom, a group attached through a carbon atom, a group attached through an oxygen atom, or a group attached through a sulfur atom. The compound or salt has an excellent androgen receptor modulating effect, and is useful for the prevention/treatment of hypogonadism, partial androgen deficiency in aging male, decline in physical strength, cachexia, osteoporosis and the like.