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

General Description

2-Chloro-4-fluoronitrobenzene is a chemical compound with the molecular formula C6H3ClFNO2. It is a yellow crystalline solid that is mainly used as an intermediate in the production of agrochemicals, pharmaceuticals, and dyes. 2-Chloro-4-fluoronitrobenzene is classified as a nitrobenzene derivative, meaning it contains a benzene ring with a nitro group (NO2) and chlorine (Cl) and fluorine (F) atoms attached to it. It is important to handle this compound with caution, as it is toxic and may cause irritation to the skin, eyes, and respiratory system upon contact or inhalation. Additionally, it is important to follow proper safety procedures when working with this chemical, including wearing appropriate protective equipment and working in a well-ventilated area.

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

Upstream product

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

Downstream Products

• 2106-02-7 2-chloro-4-fluoroaniline 
• 1056619-65-8 6-(3-chloro-4-nitrophenoxy)-1H-indazole 
• 856452-73-8 1-(2-Chloro-4-nitro-phenyl)-1H-[1,2,4]triazole 
• 1423007-32-2 6-(N-(3-chloro-4-nitrophenyl)methanesulfonamido)-5-cyclopropyl-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide 
• 1423007-28-6 6-[N-(3-chloro-4-nitrophenyl)methanesulfonamido]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide 
• 1542259-21-1 2-chloro-N,N-dihexyl-4-nitroaniline 
• 1542259-22-2 2-chloro-N¹,N¹-dihexylbenzene-1,4-diamine 
• 1542259-23-3 N-(3-chloro-4-(dihexylamino)phenyl)-3-oxobutanamide 
• 1542259-24-4 (2Z)-3-amino-N-(3-chloro-4-(dihexylamino)phenyl)but-2-enamide 
• 1542258-40-1 3-(3-chloro-4-(dihexylamino)phenyl)-2,6-dimethylpyrimidin-4(3H)-one 
• 178452-11-4 2-chloro-4-ethoxyaniline 
• 5391-55-9 3-chloro-4-nitro-phenetole 

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.