347-42-2

Basic information

• Product Name: 2-TRIFLUOROMETHYLQUINOLINE
• Synonyms: 2-(Trifluoromethyl)quinoline 97%;2-TRIFLUOROMETHYLQUINOLINE;2-(Trifluoromethyl)quinoline ,99%
• CAS NO: 347-42-2
• Molecular Formula: C₁₀H₆F₃N
• Molecular Weight: 197.16
• Product Categories: Quinoline series;Heterocycles series;Building Blocks;C8 to C10;Chemical Synthesis;Heterocyclic Building Blocks;Quinolines
• Mol File: 347-42-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 58-62℃
• Boiling Point: 233℃
• Flash Point: 90.73 °C
• Appearance: White to off-white/Crystalline Powder
• Density: 1.312 g/cm³
• Vapor Pressure: 0.123mmHg at 25°C
• Refractive Index: 1.54
• Storage Temp.: 2-8°C
• PKA: 0.32±0.48(Predicted)
• CAS DataBase Reference: 2-TRIFLUOROMETHYLQUINOLINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-TRIFLUOROMETHYLQUINOLINE(347-42-2)
• EPA Substance Registry System: 2-TRIFLUOROMETHYLQUINOLINE(347-42-2)

Safety Data

• Hazard Codes: Xi,T
• Statements: 25-36/37/38-20/21/22
• Safety Statements: 26-45-36/37-24/25
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 347-42-2(Hazardous Substances Data)

Usage

Chemical Properties

Yellow solid

InChI:InChI=1/C10H6F3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6H

Upstream product

• 1548899-28-0 1-phenylimino-3-phenoxy-3-trifluoromethylprop-2-ene 
• 100-01-6 4-nitro-aniline 
• 95-53-4 o-toluidine 
• 106-49-0 p-toluidine 
• 62-53-3 aniline 
• 134219-71-9 1-trifluoromethyl-3-(phenylamino)prop-2-en-1-one 

Downstream Products

• 18706-39-3 2-(trifluoromethyl)quinoline-4-carboxylic acid 
• 588702-63-0 2-trifluoromethyl-8-quinolinecarboxylic acid 
• 587886-26-8 2-trifluoromethyl-3-quinolinecarboxylic acid 
• 905273-56-5 C₁₀H₈F₃NO₄ 

Relevant articles and documents

Synthesis of substituted 1-trifluoromethyl and 1-perfluoroalkyl-3- (arylamino)prop-2-en-1-one: Advances in the mechanism of Combes 2-trifluoromethyl and 2-perfluoroalkyl quinolines synthesis

We report a new synthesis and our study of the mechanism of formation of substituted 1-trifluoromethyl and 1-perfluoroalkyl-3-(phenylamino)prop-2-en-1- one starting from 3-(R-phenoxy)-3-perfluoroalkyl-prop-2-enals and arylamines. Reactivity study of the intermediates confirmed that 3-perfluoroalkyl-N, N′-diphenyl-1,5-diazapentadienes are the synthetic intermediates of the synthesis of 2-perfluoroalkylquinolines. The mechanism of the reaction of 1-trifluoromethyl and 1-perfluoroalkyl-3-(phenylamino)prop-2-en-1-one with POCl3 was studied. To our knowledge this is the first detection and isolation of N,N′-diaryldiazapentadiene derivatives as intermediates in the Combes F-alkyl substituted quinoline synthesis starting from enaminoketones. Finally, we succeeded isolating and identifying unsymmetrically substituted 2-perfluorolakyldiazapentadiene.