535-52-4

Basic information

• Product Name: 2-Fluoro-5-(trifluoromethyl)aniline
• Synonyms: 3-Amino-4-fluorobenzotrifluoride for synthesis;4-FLUORO-3-AMINOBENZOTRIFLUORIDE;3-AMINO-4-FLUOROBENZOTRIFLUORIDE;ALPHA,ALPHA,ALPHA,6-TETRAFLUORO-M-TOLUIDINE;2-FLUORO-5-(TRIFLUOROMETHYL)ANILINE;2-Fluoro-5-(Trifluoromethyl)Aniline/3-Amino-4-Fluorobenzotrifluoride;4-Fluoro-3-Aminotrifluoromethylbenzene;3-Amino-4-fluorobenzotrifluoride, 97% (2-Fluoro-5-(trifluoromethyl)aniline)
• CAS NO: 535-52-4
• Molecular Formula: C₇H₅F₄N
• Molecular Weight: 179.11
• Product Categories: Trifluoromethylbenzene serise;Anilines, Aromatic Amines and Nitro Compounds;Aniline;Miscellaneous
• Mol File: 535-52-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 155 °C(lit.)
• Flash Point: 158 °F
• Appearance: clear yellow to orange liquid
• Density: 1.378 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0098mmHg at 25°C
• Refractive Index: n20/D 1.461(lit.)
• Storage Temp.: Store below +30°C.
• Solubility: Chloroform, Methanol
• PKA: 1.98±0.10(Predicted)
• BRN: 1950800
• CAS DataBase Reference: 2-Fluoro-5-(trifluoromethyl)aniline(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluoro-5-(trifluoromethyl)aniline(535-52-4)
• EPA Substance Registry System: 2-Fluoro-5-(trifluoromethyl)aniline(535-52-4)

Safety Data

• Hazard Codes: Xn,Xi,T
• Statements: 20/21/22-36/37/38-23-21/22
• Safety Statements: 26-36/37-45-36/37/39
• RIDADR: UN2810/6.1/II
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 535-52-4(Hazardous Substances Data)

Usage

Description

2-Fluoro-5-(trifluoromethyl)aniline is an organic compound characterized by the presence of a fluorine atom at the 2nd position and a trifluoromethyl group at the 5th position on the aniline molecule. It exhibits clear yellow to orange liquid properties and is known for its potential applications in various chemical synthesis studies.

Uses

Used in Chemical Synthesis Studies:
2-Fluoro-5-(trifluoromethyl)aniline is used as a chemical intermediate for the synthesis of various compounds, particularly in the pharmaceutical and agrochemical industries. Its unique structure allows for the creation of novel molecules with potential applications in drug development and crop protection.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Fluoro-5-(trifluoromethyl)aniline is used as a building block for the development of new drugs. Its specific functional groups enable the formation of diverse chemical entities that can target specific biological pathways, potentially leading to the discovery of innovative therapeutics.
Used in Agrochemical Industry:
Similarly, in the agrochemical industry, 2-Fluoro-5-(trifluoromethyl)aniline serves as a key intermediate for the synthesis of new pesticides and herbicides. Its incorporation into these compounds can enhance their effectiveness in controlling pests and weeds, contributing to improved crop yields and food security.

InChI:InChI=1/C7HClF4O2/c8-2-3(9)1(7(13)14)4(10)6(12)5(2)11/h(H,13,14)

Upstream product

• 367-86-2 1-fluoro-2-nitro-4-trifluoromethyl-benzene 
• 352-32-9 p-fluorotoluene 
• 402-42-6 4-fluoro-1-trichloromethylbenzene 
• 121-17-5 2-chloro-3-nitro-5-trifluoromethylbenzene 
• 402-44-8 4-Fluorobenzotrifluoride 
• 7439-89-6 iron 
• 588-00-1 1,2-bis(3-(trifluoromethyl)phenyl)diazene 
• 98-16-8 3-trifluoromethylaniline 

Downstream Products

• 349-27-9 N-(2-fluoro-5-(trifluoromethyl)phenyl)acetamide 
• 1799-82-2 N-<2-Fluor-5-trifluormethyl-phenyl>-carbamidsaeure-ethylester 
• 58140-17-3 C₁₆H₇F₈N₅ 
• 143925-49-9 2-phenyl-5-(trifluoromethyl)benzo[d]oxazole 
• 86844-83-9 (1S,2R,6S,7R)-4-(2-Fluoro-5-trifluoromethyl-phenyl)-10-oxa-4-aza-tricyclo[5.2.1.0^2,6]decane-3,5-dione 
• 87126-67-8 3-(2-Fluoro-5-trifluoromethyl-phenylcarbamoyl)-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid 
• 300561-25-5 N-(2-fluoro-5-trifluoromethylphenyl)methanesulfonamide 
• 260045-47-4 2-chloro-4-(2-fluoro-5-trifluoromethylanilino)pyrimidine 
• 939807-34-8 N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]urea 
• 796967-62-9 N-(2-fluoro-5-trifluoromethylphenyl)-N'-[4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl]urea 
• 182289-81-2 4-fluoro-3-nitrobenzotrifluoride 
• 182289-20-9 4-chloro-1-methyl-5-(methylthio)-3-[3-nitro-4-(trifluoromethyl)phenoxy]pyrazole 
• 182289-38-9 N-[5-(4-Chloro-1-methyl-5-methylsulfanyl-1H-pyrazol-3-yloxy)-2-trifluoromethyl-phenyl]-acetamide 
• 182289-53-8 5-(4-Chloro-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-2-trifluoromethyl-phenylamine 

Relevant articles and documents

Anion ligand promoted selective C-F bond reductive elimination enables C(sp2)-H fluorination

A detailed mechanism study on the anion ligand promoted selective C-H bond fluorination is reported. The role of the anion ligand has been clarified by experimental evidence and DFT calculations. Moreover, the nitrate promoted C-F bond reductive elimination enabled a selective C-H bond fluorination of various symmetric and asymmetric azobenzenes to access diverse o-fluoroanilines.

Torsional and Electronic Factors Control the C?H???O Interaction

The precise role of non-conventional hydrogen bonds such as the C?H???O interaction in influencing the conformation of small molecules remains unresolved. Here we survey a series of β-turn mimetics using X-ray crystallography and NMR spectroscopy in conju

CYANOMETHYLENE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE

The cyanomethylene compound of the invention is a compound represented by the formula (1) wherein R is C1-20 straight-chain or branched-chain alkyl, C3-8 cycloalkyl, aryl or heterocyclic group; and the aryl and the heterocyclic group