2106-50-5

Basic information

• Product Name: 2-Chloro-4-fluoronitrobenzene
• Synonyms: 2-CHLORO-4-FLUORONITROBENZENE;2-chloro-4-fluoro-1-nitrobenzene;1-Chloro-5-fluoro-2-nitroBenzene;4-fluoro-2-chloronitrobenzene;2-CHLORO-4-FLUORONITROBENZENE 98%;3-Chloro-1-fluoro-4-nitrobenzene;2-chloro-4-fluoronitrobenzenen;Benzene, 2-chloro-4-fluoro-1-nitro-
• CAS NO: 2106-50-5
• Molecular Formula: C₆H₃ClFNO₂
• Molecular Weight: 175.54
• EINECS: 218-286-2
• Mol File: 2106-50-5.mol
• Article Data: 14

Chemical Properties

• Melting Point: 34-37°C
• Boiling Point: 71°C/2.3mmHg(lit.)
• Flash Point: 96.8 °C
• Appearance: /
• Density: 1.494 g/cm³
• Vapor Pressure: 0.0728mmHg at 25°C
• Refractive Index: 1.554
• Storage Temp.: Room temperature.
• Solubility: DMSO (Sparingly), Methanol (Slightly)
• CAS DataBase Reference: 2-Chloro-4-fluoronitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-4-fluoronitrobenzene(2106-50-5)
• EPA Substance Registry System: 2-Chloro-4-fluoronitrobenzene(2106-50-5)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-36/38-21/22
• Safety Statements: 26-36/37/39-36/37
• RIDADR: 2811
• HazardClass: 6.1
• PackingGroup: Ⅲ
• Hazardous Substances Data: 2106-50-5(Hazardous Substances Data)

Usage

Description

2-Chloro-4-fluoronitrobenzene, a chemical compound with the molecular formula C6H3ClFNO2, is a yellow crystalline solid. It is a nitrobenzene derivative, characterized by the presence of a benzene ring with a nitro group (NO2), chlorine (Cl), and fluorine (F) atoms attached to it. Due to its toxic nature and potential to cause irritation to the skin, eyes, and respiratory system, it requires careful handling and adherence to safety procedures, including the use of protective equipment and working in well-ventilated areas.

Uses

Used in Agrochemical Industry:
2-Chloro-4-fluoronitrobenzene is used as an intermediate in the synthesis of various agrochemicals. Its unique chemical structure contributes to the development of effective pesticides and herbicides, enhancing crop protection and yield.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 2-Chloro-4-fluoronitrobenzene serves as a key intermediate for the production of specific drugs. Its versatile chemical properties allow for the creation of medicinal compounds with targeted therapeutic effects.
Used in Dye Industry:
2-Chloro-4-fluoronitrobenzene is utilized as an intermediate in the manufacture of dyes. Its distinct molecular structure imparts color characteristics to various dye products, contributing to the vibrancy and stability of colors in different applications.

InChI:InChI=1/C6H3ClFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H

Upstream product

• 611-06-3 2,4-dichloronitrobenzene 
• 320-98-9 5-fluoro-2-nitrobenzoic acid 
• 625-98-9 3-chlorofluorobenzene 

Downstream Products

• 2369-11-1 5-fluoro-2-nitroaniline 
• 1026026-68-5 (3,4-Dimethoxy-benzyl)-(5-fluoro-2-nitro-phenyl)-amine 
• 230642-97-4 (S)-1-(3-Chloro-4-nitrophenyl)-2-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester 
• 1056619-65-8 6-(3-chloro-4-nitrophenoxy)-1H-indazole 
• 748182-89-0 [1-(4-Amino-3-chlorophenyl)pyrrolidin-3-yl]dimethylamine 
• 1059705-52-0 1-(3-chloro-4-nitrophenyl)-4-methylpiperazine 
• 856452-73-8 1-(2-Chloro-4-nitro-phenyl)-1H-[1,2,4]triazole 
• 1235831-02-3 4-[5-(3-chloro-4-nitrophenoxy)-2-ethylphenyl]-2,2,6,6-tetramethylpyran-3,5-dione 
• 951667-42-8 5-(3-chloro-4-nitro-phenoxy)-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester 
• 24646-28-4 (±)-methyl 2-(3-chloro-4-nitrophenyl)propanoate 
• 67333-29-3 (±)-methyl 2-(4-amino-3-chlorophenyl)propanoate 
• 1071989-24-6 2-chloro-4-isopropoxy-phenylamine 
• 40422-91-1 (3-chloro-4-nitro-phenyl)-isopropyl ether 
• 133387-31-2 2-chloro-4-(1-pyrrolidinyl)nitrobenzene 

Relevant articles and documents

Decarboxylative Halogenation and Cyanation of Electron-Deficient Aryl Carboxylic Acids via Cu Mediator as Well as Electron-Rich Ones through Pd Catalyst under Aerobic Conditions

Simple strategies for decarboxylative functionalizations of electron-deficient benzoic acids via using Cu(I) as promoter and electron-rich ones by employing Pd(II) as catalyst under aerobic conditions have been established, which lead to smooth synthesis of aryl halides (-I, Br, and Cl) through the decarboxylative functionalization of benzoic acids with readily available halogen sources CuX (X = I, Br, Cl), and easy preparation of benzonitriles from decarboxylative cyanation of aryl carboxylic acids with nontoxic and low-cost K4Fe(CN)6 under an oxygen atmosphere for the first time.

Kepner-Tregoe decision analysis as a tool to aid route selection. Part 2. Application to AZD7545, a PDK inhibitor

Kepner-Tregoe decision analysis was formally used as an aid to route selection, as outlined in the preceding paper. Over 40 paper routes were assessed for suitability for both immediate and longer term manufacture of AZD7545, a compound in the early stages of development. Eight routes were then investigated in full in the laboratory, and a further four in part, over a period of 3-4 months. From this exercise, the preferred long-term manufacturing route was identified before the first pilot scale manufacture had been completed. This route selection exercise worked well in this case where a large number of potential routes had to be considered using limited resources. It was also an effective means of bringing some long-term manufacturing issues to the fore at an early stage in development.

Tetramethylammonium chloride as a selective and robust phase transfer catalyst in a solid-liquid halex reaction: The role of water

Tetramethylammonium chloride (TMAC) is an effective phase transfer catalyst for the selective chloride/fluoride exchange reaction of activated aryl chlorides with potassium fluoride provided that the amount of water in the system is limited and controlled.