452-09-5

Basic information

• Product Name: 4-CHLORO-2-FLUOROANISOLE
• Synonyms: 4-CHLORO-2-FLUOROANISOLE;4-Chloro-2-fluoroanisole 98%;4-Chloro-2-fluoroanisole98%;2-Fluoro-4-chloroanisole;4-Chloro-2-fluoro-1-methoxybenzene
• CAS NO: 452-09-5
• Molecular Formula: C₇H₆ClFO
• Molecular Weight: 160.57
• Product Categories: Aromatic Ethers;Anisole;Anisoles, Alkyloxy Compounds & Phenylacetates;Chlorine Compounds;Fluorine Compounds;Ethers;Organic Building Blocks;Oxygen Compounds
• Mol File: 452-09-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 160 °C(lit.)
• Flash Point: 175 °F
• Appearance: /
• Density: 1.294 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.8mmHg at 25°C
• Refractive Index: n20/D 1.518(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-CHLORO-2-FLUOROANISOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLORO-2-FLUOROANISOLE(452-09-5)
• EPA Substance Registry System: 4-CHLORO-2-FLUOROANISOLE(452-09-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: 1993
• WGK Germany: 3
• Hazardous Substances Data: 452-09-5(Hazardous Substances Data)

Usage

General Description

4-CHLORO-2-FLUOROANISOLE is a chemical compound that is also known as 2-fluoro-4-chloroanisole. It is a colorless to light yellow liquid with a sweet, aromatic odor. This chemical is used as an intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds. It is also used as a flavor and fragrance ingredient in the perfume industry. 4-CHLORO-2-FLUOROANISOLE is considered to be a potentially hazardous substance and should be handled with care, as it may cause irritation to the skin, eyes, and respiratory system if not properly managed.

InChI:InChI=1/C7H6ClFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

Upstream product

• 366-99-4 3-fluoro-4-methoxyaniline 
• 95-03-4 5-chloro-2-methoxyaniline 
• 623-12-1 4-chloromethoxybenzene 
• 4274-03-7 2-methoxy-5-chloro-aniline-hydrochloride 
• 321-28-8 1-fluoro-2-methoxybenzene 

Downstream Products

• 112641-64-2 2-chloro-6-fluoro-5-methoxybenzaldehyde 
• 867333-04-8 (6-chloro-2-fluoro-3-methoxyphenyl) boronic acid 
• 91659-28-8 6-chloro-2-fluoro-3-hydroxy-benzoic acid 
• 61292-67-9 1-(5-chloro-2-methoxyphenyl)-1H-imidazole 
• 886499-63-4 6-chloro-2-fluoro-3-methoxybenzoyl chloride 
• 1427406-96-9 1,3-bis(2-fluoro-6-methyl-3-triisopropylsilyloxyphenyl)urea 
• 1308661-82-6 2-[3-({(6-chloro-2-fluoro-3-methoxy-benzyl)-[(S)-2-(4-chloro-phenyl)-1-dimethylaminomethyl-ethyl]-amino}-methyl)-benzyl]-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid((1S,2S,3S,5R)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-amide 
• 1308661-81-5 2-[3-({(6-chloro-2-fluoro-3-methoxy-benzyl)-[(S)-2-(3-chloro-phenyl)-1-dimethylaminomethyl-ethyl]-amino}-methyl)-benzyl]-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid((1S,2S,3S,5R)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-amide 
• 1308661-80-4 2-(3-{[(6-chloro-2-fluoro-3-methoxy-benzyl)-((S)-1-dimethylaminomethyl-2-phenyl-ethyl)-amino]-methyl}-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid ((1S,2S,3S,5R)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-amide 
• 1308661-78-0 2-(3-{[(6-chloro-2-fluoro-3-methoxy-benzyl)-((S)-1-dimethylaminomethyl-3,3-dimethyl-butyl)-amino]-methyl}-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid((1R,2R,3R,5S)-2,6,6-trimethyl-bicyclo[3.1.1]hept-3-yl)-amide 
• 1308662-44-3 2-(3-{[(6-chloro-2-fluoro-3-methoxy-benzyl)-((S)-1-dimethylaminomethyl-3,3-dimethyl-butyl)-amino]-methyl}-5-dimethylamino-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid ethyl ester 
• 1308662-17-0 2-(3-{[(6-Chloro-2-fluoro-3-methoxy-benzyl)-((S)-1-dimethylaminomethyl-3,3-dimethyl-butyl)-amino]-methyl}-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid ethyl ester 
• 1308662-42-1 2-(3-{[(6-Chloro-2-fluoro-3-methoxy-benzyl)-((S)-1 dimethylaminomethyl-3,3-dimethyl-butyl)-amino]-methyl}-benzyl)-1,1-dioxo-1λ6-isothiazolidine-3-carboxylic acid 
• 886499-58-7 6-chloro-2-fluoro-3-methoxy-benzoic acid 

Relevant articles and documents

Fluorination of aromatic compounds with N-fluorobenzenesulfonimide under solvent-free conditions

Reactions of N-fluorobenzenesulfonimide with methylbenzenes, phenols, and phenol ethers were studied under solvent-free conditions. The rate constant ratio for the reactions with mesitylene and durene indicates polar mechanism of the process. Solvent-free fluorination of aromatic compounds with N-fluorobenzenesulfonimide in some cases is more selective than reactions with other N-F reagents in a solvent.

Novel process for generating useful electrophiles from common anions using Selectfluor fluorination agent

In the present work, the electrophile equivalents C1+, Br+, SCN+, and NO2+ are generated from their respective sodium, potassium, and in some cases ammonium salts (M+X-) by reaction with Selectfluor electrophilic fluorination agent in acetonitrile solution at room temperature. These generated electrophilic species subsequently react in situ with a variety of aromatic substrates containing one or more substituent groups including H, F, C1, CH3, COOH, C(O)CH3, NO2, and OR′ and NR′R″ where R′ and R″ are H or CH3. The resulting substitution products are, in most cases, isolable as pure compounds in high yield. Variations in the process include the use of other anions, electrophilic fluorination agents, and solvents.

Fluorination process

According to the present invention there is provided a process for the selective introduction of one or more fluorine atoms into a disubstituted aromatic compound in an acid medium with fluorine gas characterized in that the acid medium has a dielectric constant of at least 20 and a pH of less than 3. The present process provides a cost effective means of selectively introducing one or more fluorine atoms into an aromatic compound in good overall yield.