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

General Description

5-Chloro-2-fluoronitrobenzene is a chemical compound with the molecular formula C6H3ClFNO2. It is a nitrobenzene derivative with a chlorine atom and a fluorine atom attached to the benzene ring. 5-Chloro-2-fluoronitrobenzene is used in the production of various pharmaceuticals and agrochemicals as a building block for synthesizing more complex organic compounds. It is also used as an intermediate in the manufacture of dyes, pigments, and other specialty chemicals. 5-Chloro-2-fluoronitrobenzene is classified as a hazardous chemical and must be handled with caution due to its potential to cause irritation and damage to the skin, eyes, and respiratory system.

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

Upstream product

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

Downstream Products

• 173034-13-4 5-(4-Chloro-2-nitro-phenyl)-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-6-carboxylic acid methyl ester 
• 89-64-5 p-chloro-o-nitrophenol 
• 89-63-4 4-Chloro-2-nitroaniline 
• 15950-17-1 4-chloro-N-methyl-2-nitroaniline 
• 56756-20-8 N¹-(4-chloro-2-nitrophenyl)-N³,N³-dimethylpropane-1,3-diamine 
• 56756-22-0 N-(γ-dimetilamminopropil)-2-ammino-4-cloroanilina 

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.