345-18-6

Basic information

• Product Name: 5-Chloro-2-fluoronitrobenzene
• Synonyms: 5-Chloro-2-fluoronitrobenzene, 95+%;Benzene, 4-chloro-1-fluoro-2-nitro-;5-CHLORO-2-FLUORONITROBENZENE;4-CHLORO-1-FLUORO-2-NITRO-BENZENE;1-CHLORO-4-FLUORO-3-NITROBENZENE;5-chloro-2-fluoronitrobenzenen;2-FLUORO-5-CHLORONITROBENZENE;4-CHLORO-2-NITRO FLUORO BENZENE
• CAS NO: 345-18-6
• Molecular Formula: C₆H₃ClFNO₂
• Molecular Weight: 175.54
• EINECS: 206-457-4
• Product Categories: Fluorine series;Aromatic Halides (substituted);Miscellaneous
• Mol File: 345-18-6.mol
• Article Data: 10

Chemical Properties

• Melting Point: 8.3 °C
• Boiling Point: 236 °C
• Flash Point: 97.2°C
• Appearance: /
• Density: 1.494g/cm³
• Refractive Index: 1.5490-1.5530
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-Chloro-2-fluoronitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Chloro-2-fluoronitrobenzene(345-18-6)
• EPA Substance Registry System: 5-Chloro-2-fluoronitrobenzene(345-18-6)

Safety Data

• Hazard Codes: Xi,C
• Statements: 20/21/22-36/37/38-34
• Safety Statements: 36/37/39-45
• RIDADR: UN 3261 8 / PGII
• WGK Germany: 3
• Hazardous Substances Data: 345-18-6(Hazardous Substances Data)

Usage

Description

5-Chloro-2-fluoronitrobenzene is a chemical compound with the molecular formula C6H3ClFNO2. It is a nitrobenzene derivative featuring a chlorine atom and a fluorine atom attached to the benzene ring, known for its role as a building block in the synthesis of complex organic compounds.

Uses

Used in Pharmaceutical Industry:
5-Chloro-2-fluoronitrobenzene is used as a key intermediate for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with specific therapeutic properties, contributing to advancements in medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 5-Chloro-2-fluoronitrobenzene serves as a crucial building block for the production of pesticides and other agrochemicals. Its incorporation into these compounds can enhance their effectiveness in protecting crops and controlling pests.
Used in Dye and Pigment Industry:
5-Chloro-2-fluoronitrobenzene is utilized as an intermediate in the manufacture of dyes and pigments. Its presence in these compounds can impart specific color characteristics and improve their performance in various applications, such as textiles, plastics, and inks.
Used in Specialty Chemicals Industry:
5-Chloro-2-fluoronitrobenzene also finds application in the production of specialty chemicals, where its unique properties can be harnessed to create high-performance materials for specific industrial uses.
Safety Precautions:
Given its classification as a hazardous chemical, 5-Chloro-2-fluoronitrobenzene must be handled with care to prevent potential irritation and damage to the skin, eyes, and respiratory system. Proper safety measures, including the use of personal protective equipment and adherence to handling protocols, are essential when working with this compound.

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

Upstream product

• 371-40-4 4-fluoroaniline 
• 1493-27-2 ortho-nitrofluorobenzene 
• 352-33-0 1-Chloro-4-fluorobenzene 
• 610-40-2 3,4-dinitro-chlorobenzene 
• 1948-14-7 (4-Chlor-2-nitro-phenyl)-trifluormethylsulfon 
• 89-61-2 2,5-dichloronitrobenzene 
• 364-76-1 4-Fluoro-3-nitroaniline 

Downstream Products

• 89-21-4 4-chloro-2-nitroanisole 
• 173034-14-5 5-(4-Chloro-2-nitro-phenyl)-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 
• 1291104-19-2 (4S,5R)-2,2-diethyl 4-methyl 4-(4-chloro-2-nitrophenyl)-5-phenylpyrrolidine-2,2,4-tricarboxylate 
• 1291104-01-2 methyl 2-(4-chloro-2-nitrophenyl)acrylate 
• 147124-32-1 dimethyl (4-chloro-2-nitrophenyl)malonate 
• 1456504-99-6 (S)-3-((1r,4S)-4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)cyclohexyl)-5,5-dimethyl-4-phenyloxazolidin-2-one 
• 1456507-02-0 (S)-3-((1r,4S)-4-((2-amino-4-chlorophenyl)amino)cyclohexyl)-5,5-dimethyl-4-phenyloxazolidin-2-one 
• 1456507-01-9 (S)-3-((1r,4S)-4-((4-chloro-2-nitrophenyl)amino)cyclohexyl)-5,5-dimethyl-4-phenyloxazolidin-2-one 
• 4235-20-5 5-chloro-2-phenylsulfanyl-aniline 
• 1451261-58-7 2-{2-[(1-benzofuran-2-ylsulfonyl)amino]-4-chlorophenoxy}benzoic acid 
• 1451261-57-6 methyl 2-{2-[(1-benzofuran-2-ylsulfonyl)amino]-4-chlorophenoxy}benzoate 
• 1451261-56-5 N-{5-chloro-2-[(2-methylpyridin-3-yl)oxy]phenyl}-1-benzofuran-2-sulfonamide 
• 1451261-89-4 5-chloro-2-((2-methylpyridin-3-yl)oxy)aniline 
• 1451261-81-6 4-({2-[(1-benzofuran-2-ylsulfonyl)amino]-4-chlorophenyl}sulfanyl)benzoic acid 

Relevant articles and documents

Catalyst and application thereof in synthesis of aromatic fluorine compounds

The invention belongs to the field of catalyst preparation and application, and particularly relates to a catalyst and application thereof in synthesis of aromatic fluorine compounds. The nickel catalyst is dichloro-bis-(tri-cyclohexylphosphine) nickel, and the molecular formula of the nickel catalyst is Ni (Py3) 2Cl2. The nickel catalyst is applied to catalyzing inorganic fluoride to replace aromatic chloride to synthesize fluoride. The catalyst has the advantages of easily available reagents, simple catalyst synthesis, simple operation conditions, low reaction temperature, high reaction yield and less time consumption.

N-halosuccinimide/BF3-H2O, efficient electrophilic halogenating systems for aromatics

N-Halosuccinimides (NXS, 1) are efficiently activated in trifluoromethanesulfonic acid and BF3-H2O, allowing the halogenations of deactivated aromatics. Because BF3-H2O is more economic, easy to prepare, nonoxidizing, and offers sufficiently high acidity (-H0 ≈ 12, only slightly lower than that of trifluoromethanesulfonic acid), an efficient new electrophilic reagent combination of NXS/BF3-H2O has been developed. DFT calculations at the B3LYP/6-311++G**//B3LYP/6-31G* level suggest that protonated N-halosuccinimides undergo further protosolvation at higher acidities to reactive superelectrophilic species capable either in the transfer of X+ from the protonated forms of NXS to the aromatic substrate or in forming a highly reactive and solvated X+ which would readily react with the aromatic substrates. Structural aspects of the BF 3-H2O complex have also been investigated.

Methylhexamethylenetetramine fluoride dihydrate: A new fluorodenitration reagent

Methylhexamethylenetetramine fluoride dihydrate has been prepared by conventional methods. It is moderately soluble in polar aprotic solvents, and shows good thermal stability, enabling it to be dried. The reagent is capable of converting activated nitroaromatics to the corresponding fluoroaromatics, with a high selectivity to monofluorodenitration being observed with some polysubstituted aromatics.