400-74-8

Basic information

• Product Name: 2-Fluoro-5-nitrobenzotrifluoride
• Synonyms: 2-Fluor-5-nitrobenzotrifluorid;2-Fluoro-5-nitrobenz;2-fluoro-5-nitrotrifluorotoluol;1-Fluoro-4-nitro-2-(trifluoromethyl)benzene 5-Nitro-alpha,alpha,alpha,2-tetrafluorotoluene;2-Fluoro-5-nitrobenzotrifluoride (trifluoroMethyl)benzene;2- fluorine-5- nitrothree fluorine toluene;2- fluoro-5- nitrothree fluorine toluene;2-fluoro-5-nitrotrifluorotoluene
• CAS NO: 400-74-8
• Molecular Formula: C₇H₃F₄NO₂
• Molecular Weight: 209.1
• EINECS: 206-925-8
• Product Categories: Aromatic Nitriles;Aromatic Halides (substituted);Benzene series;Halides;Phenyls & Phenyl-Het;API intermediates;Phenyls & Phenyl-Het;Benzenes
• Mol File: 400-74-8.mol
• Article Data: 3

Chemical Properties

• Melting Point: 22-24°C
• Boiling Point: 105-110 °C25 mm Hg(lit.)
• Flash Point: 197 °F
• Appearance: clear yellowish liquid
• Density: 1.522 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0117mmHg at 25°C
• Refractive Index: n20/D 1.465(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1881423
• CAS DataBase Reference: 2-Fluoro-5-nitrobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluoro-5-nitrobenzotrifluoride(400-74-8)
• EPA Substance Registry System: 2-Fluoro-5-nitrobenzotrifluoride(400-74-8)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-23
• RIDADR: UN2810
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 400-74-8(Hazardous Substances Data)

Usage

Chemical Properties

clear yellowish liquid

Uses

2-Fluoro-5-nitrobenzotrifluoride may be used in the synthesis of [3-(4-nitro-2-trifluoromethylphenyl)aminophenyl]dihydroxyborane.

Synthesis Reference(s)

Journal of the American Chemical Society, 78, p. 6034, 1956 DOI: 10.1021/ja01604a022

General Description

2-Fluoro-5-nitrobenzotrifluoride is formed during the fluorodenitration of 2-(4-chlorobenzene sulfonyl)-5-nitrotrifluoride using tetramethyl ammonium fluoride.

InChI:InChI=1/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3

Upstream product

• 360-74-7 4,4'-dinitro-2,2'-bis(trifluoromethyl)diphenyl sulphone 
• 150690-61-2 4-chloro-4'-nitro-2'-trifluoromethyldiphenyl sulphone 
• 777-37-7 4-chloro-3-(trifluoromethyl)nitrobenzene 

Downstream Products

• 21726-41-0 4-((2-methylphenyl)thio)-3-(trifluoromethyl)nitrobenzene 
• 81795-21-3 4-(phenylthio)-3-(trifluoromethyl)aniline 
• 647007-88-3 C₁₂H₁₃F₃N₂O₅ 
• 60789-49-3 1-(methylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene 
• 309734-66-5 1-methyl-4-(4-nitro-2-(trifluoromethyl)phenyl)piperazine 
• 3803-10-9 4-nitro-2-(trifluoromethyl)phenyl phenyl sulfone 
• 330177-40-7 1-(4-nitro-2-(trifluoromethyl)phenyl)pyrrolidine 
• 748183-17-7 tert-Butyl [1-(4-amino-2-trifluoromethylphenyl)pyrrolidin-3-yl]methylcarbamate 
• 39062-69-6 4-benzyloxy-3-trifluoromethyl-nitrobenzene 
• 351324-52-2 1-<4-nitro-2-(trifluoromethyl)phenyl>-1H-imidazole 
• 235428-02-1 2-(3-chloro-5-pyridyloxy)-5-nitrobenzotrifluoride 
• 60768-40-3 1-methyl-5-nitro-2-(4-nitro-2-trifluoromethyl-phenoxymethyl)-1H-imidazole 
• 910654-38-5 C₁₄H₁₂F₃N₃O₂ 
• 910654-25-0 C₁₀H₄Cl₂F₃N₃O₂ 

Relevant articles and documents

Fluorodenitration of activated diphenyl sulphones using tetramethylammonium fluoride

Fluorodenitration of nitro-substituted diphenyl sulphones occurs readily in dipolar aprotic solvents using tetramethylammonium fluoride as the source of fluoride, although other reactions including fluorodesulphonylation can sometimes occur in competition. - Keywords: Fluorodenitration; Diphenyl sulphones; Tetramethylammonium fluoride; NMR spectroscopy; Mass spectrometry

A General Procedure for the Fluorodenitration of Aromatic Substrates

The synthesis of several fluoroaromatic compounds by a new procedure of fluorodenitration of nitroarenes is reported.The methodology is based on the principle that the nitrite ion, generated during the fluorodenitration processes and responsible for most of the undesired side reactions, can be trapped with a suitable reagent, e.g., phthaloyl difluoride or tetrafluorophthaloyl difluoride.The yields of fluoro compounds thus obtained are good to excellent, and the procedure is of general application.