455-88-9

Basic information

• Product Name: 2-Fluoro-5-nitrotoluene
• Synonyms: 1-FLUORO-2-METHYL-4-NITROBENZENE;2-FLUORO-5-NITROTOLUENE;1-fluoro-2-methyl-4-nitro-benzen;3-Methyl-4-fluoronitrobenzene;Toluene, 2-fluoro-5-nitro-;2-Fluoro-5-nitrotoluene 98%;Fluoronitrotoluene;Fluoronitrotoluene2
• CAS NO: 455-88-9
• Molecular Formula: C₇H₆FNO₂
• Molecular Weight: 155.13
• EINECS: 207-251-7
• Product Categories: Fluorides;Fluorin-contained toluene series;Aromatic Hydrocarbons (substituted) & Derivatives;Halogen toluene;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Aryl Fluorinated Building Blocks;Building Blocks;C7;Chemical Synthesis;Fluorinated Building Blocks;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
• Mol File: 455-88-9.mol
• Article Data: 10

Chemical Properties

• Melting Point: 38-40 °C(lit.)
• Boiling Point: 99-100 °C13 mm Hg(lit.)
• Flash Point: 221 °F
• Appearance: white to light yellow crystal powder
• Density: 1.3021 (estimate)
• Vapor Pressure: 0.147mmHg at 25°C
• Refractive Index: 1.53
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• BRN: 1940341
• CAS DataBase Reference: 2-Fluoro-5-nitrotoluene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluoro-5-nitrotoluene(455-88-9)
• EPA Substance Registry System: 2-Fluoro-5-nitrotoluene(455-88-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37/39-22
• RIDADR: UN2811
• WGK Germany: 3
• TSCA: T
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 455-88-9(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Synthesis Reference(s)

The Journal of Organic Chemistry, 63, p. 8448, 1998 DOI: 10.1021/jo981557o

InChI:InChI=1/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3

Upstream product

• 99-08-1 1-methyl-3-nitrobenzene 
• 99-99-0 1-methyl-4-nitrobenzene 
• 95-52-3 2-Fluorotoluene 
• 7697-37-2 nitric acid 
• 1195931-64-6 C₈H₆F₃NO₅S 
• 13290-74-9 1-chloro-2-methyl-4-nitrobenzene 
• 139911-27-6 4-fluoro-3-methylphenyl boronic acid 
• 7149-70-4 2-bromo-5-nitrotoluene 

Downstream Products

• 51248-16-9 1-(2-methyl-4-nitro-phenyl)-piperidine 
• 56715-00-5 3-methyl-4-(1-adamantyloxy)-nitrobenzene 
• 154164-39-3 1-(2-Methyl-4-nitro-phenyl)-1H-imidazole 
• 140396-86-7 N-(2-methyl-4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline 
• 99-53-6 2-methyl-4-nitrophenol 
• 147285-88-9 4-fluoro-3-methyl-2-nitroaniline 
• 454-15-9 2-fluoro-5-nitrobenzyl bromide 
• 88975-07-9 2-Methyl-2-(2-methyl-4-nitro-phenyl)-malonic acid diethyl ester 
• 63878-68-2 1-fluoro-2-(fluoromethyl)-4-nitrobenzene 
• 223404-63-5 3-methyl-4-(morpholin-4-yl)nitrobenzene 
• 853990-53-1 N-allyl-N-(2-fluoro-5-nitro-benzyl)-2-isopropylamino-propionamide 
• 853990-51-9 {1-[allyl-(2-fluoro-5-nitro-benzyl)-carbamoyl]-ethyl}-carbamic acid tert-butyl ester 
• 853990-52-0 {1-[allyl-(2-fluoro-5-nitro-benzyl)-carbamoyl]-ethyl}-methyl-carbamic acid tert-butyl ester 
• 278594-24-4 [(2-fluoro-5-nitrophenyl)methyl]prop-2-enylamine 

Relevant articles and documents

Method for pipeline continuous fluorination with fluorine salt as fluorine source

The method comprises the following steps: dissolving a fluorine salt in an aqueous polar aprotic solvent as reaction liquid A, dissolving an aryl (heterocyclic) chloride in a polar aprotic solvent as reaction liquid B, and reacting a polar aprotic solvent in the reaction liquid A with a polar aprotic solvent of the reaction liquid B. The reaction medium consisting of the preheated reaction liquid A and the preheated reaction liquid B enters the reaction coil for a fluorination reaction, and the resulting product from the reaction coil is subjected to post-treatment to obtain the product. The method has the characteristics of no need of adding a phase transfer catalyst, continuous production, low production cost and the like.

Metal-Catalyzed Carbon-Fluorine Bond Formation

One aspect of the invention relates to a metal-catalyzed conversion of aryl halides and sulfonates to the corresponding aryl fluorides. Another aspect of the invention relates to a metal-catalyzed conversion of heteroaryl halides and sulfonates to the corresponding heteroaryl fluorides. Another aspect of the invention relates to a metal-catalyzed conversion of vinyl halides and sulfonates to the corresponding vinyl fluorides. In certain embodiments, simple fluoride sources, such as AgF and CsF, are used. In certain embodiments, the transformations tolerate a wide range of functional groups, allowing for introduction of fluorine atoms into highly functionalized organic molecules.

Formation of arf from lpdar(f): catalytic conversion of aryl triflates to aryl fluorides

Despite increasing pharmaceutical importance, fluorinated aromatic organic molecules remain difficult to synthesize. Present methods require either harsh reaction conditions or highly specialized reagents, making the preparation of complex fluoroarenes ch