64248-64-2

Basic information

• Product Name: 2,5-Difluorobenzonitrile
• Synonyms: 2,5-DIFLUOROBENZONITRILE;Benzonitrile, 2,5-difluoro-;Benzonitrile, 2,5-difluoro- (9CI);2,5-Difluorobenzonitrile,98%;2,5-Difluorobenzonitrile 98%;2,5-Difluorobenzonitrile,99%;2,5-Difluorobenzonit;2,5-difluoro nitrile
• CAS NO: 64248-64-2
• Molecular Formula: C₇H₃F₂N
• Molecular Weight: 139.1
• EINECS: 264-753-9
• Product Categories: NITRILE;Aromatic Nitriles;Fluorobenzene;Fluorobenzonitrile Series;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 64248-64-2.mol
• Article Data: 5

Chemical Properties

• Melting Point: 33-35 °C(lit.)
• Boiling Point: 188 °C
• Flash Point: 172 °F
• Appearance: white to light yellow crystal powder
• Density: 1.2490 (estimate)
• Vapor Pressure: 0.0946mmHg at 25°C
• Refractive Index: 1.496
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2085640
• CAS DataBase Reference: 2,5-Difluorobenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Difluorobenzonitrile(64248-64-2)
• EPA Substance Registry System: 2,5-Difluorobenzonitrile(64248-64-2)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-36/37
• RIDADR: UN 1325 4.1/PG 2
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 64248-64-2(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Uses

2,5-Difluorobenzonitrile has been used in the preparation of dithiadiazolyl radicals.

General Description

Electronic transitions in 2,5-difluorobenzonitrile has been investigated by photoacoustic spectroscopy.

InChI:InChI=1/C8H4F3NOS/c9-8(10,11)13-7-3-1-6(2-4-7)12-5-14/h1-4H

Upstream product

• 16588-02-6 4-chloro-3-cyanonitrobenzene 
• 247092-13-3 2,5-difluorobenzaldehyde oxime 
• 2646-90-4 2,5-difluorobenzaldehyde 
• 2265-92-1 1,4-difluoro-2-iodobenzene 
• 77287-34-4 formamide 
• 21663-61-6 2,5-dichlorobenzonitrile 

Downstream Products

• 256951-82-3 2-(cyanomethyl)-5-fluorobenzonitrile 
• 854531-90-1 2-[4-(3-cyano-4-nitrophenoxy)-2-methylphenoxy]-2-methylpropionic acid ethyl ester 
• 91407-41-9 5-fluoro-2-hydroxybenzonitrile 
• 756839-31-3 2-(1-methyl-1H-indazol-5-ylsulfanyl)-5-fluorobenzonitrile 
• 765914-95-2 5-Fluoro-2-(1-isobutyl-1H-indazol-5-yloxy)-benzonitrile 
• 945614-25-5 5-fluoro-2-((1-(2-hydroxyethyl)-1H-indazol-5-yl)oxy)benzonitrile 
• 1416216-01-7 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-fluoro-2-(1-(2-hydroxyethyl)-1H-indazol-5-yloxy)benzyl)urea hydrochloride 
• 53312-81-5 3-cyano-4-fluoroaniline 
• 1245807-64-0 2-bromo-5-fluoro-terephthalic acid 
• 61272-77-3 2-cyano-4-fluoroaniline 

Relevant articles and documents

Preparation method 2 -amino -5 -fluorobenzonitrile

The invention discloses a preparation method of 2 - amino -5 - fluorobenzonitrile, which comprises the specific steps of (1) taking 2, 5 - difluorobenzaldehyde as a starting raw material, condensation reaction with hydroxylamine hydrochloride under the conditions of triethylamine, and generating compound III. (2) Compound III is dehydrated with phosphorus oxychloride to form compound IV. (3) Compound IV is decomposed by ammonia to form compound I. That is 2 - amino -5 - fluorobenzonitrile. The preparation method is higher in yield.

Synthesis of 2-fluoro-5-polybromide method of terephthalic acid

The invention discloses a method for synthesizing 2-fluoro-5-bromoterephthalic acid, which comprises the following steps: dissolving 2,5-dichlorobenzonitrile and dry potassium fluoride in sulfolane, and heating to react to obtain 2,5-difluorobenzonitrile (the purity is 99%); adding a new sulfolane solution, and introducing chlorine for 2 hours to obtain 6-amino-2-fluorobenzonitrile; carrying out diazotization treatment, adding acrylonitrile and hydrobromic acid, heating to react, and extracting with ethyl acetate for dilution to obtain 2-fluoro-5-bromo-p-benzonitrile; and finally, carrying out hydrolysis on the 2-fluoro-5-bromo-p-benzonitrile in a dilute sulfuric acid water solution for 8 hours, and extracting with ethyl acetate to obtain 15.44g of 2-fluoro-5-bromoterephthalic acid, wherein the yield is 83.99% above.

General and Highly Efficient Syntheses of m-Fluoro Arenes Using Potassium Fluoride-Exchange Method

Tetraphenylphosphonium bromide was found to be a suitable catalyst for the reaction of m-nitroaryl derivatives carrying cyano, nitro, chlorocarbonyl, trifluoromethyl, and chlorosulfonyl groups with potassium fluoride in the presence of a stoichiometric amount of phthaloyl dichloride, giving the corresponding m-fluoro aromatic derivatives in good yields.The catalyst was also found to be efficient for the fluorodesulfonylation of m-(fluorosulfonyl)aryl derivatives to afford m-fluoro arenes by the use of a reaction-distillation technique.