49850-16-0

Basic information

• Product Name: 3,5-BIS(TRIFLUOROMETHYL)-N-ETHYLANILINE
• Synonyms: 3,5-Bis(trifluoromethyl)-N-ethylaniline97%;3,5-BIS(TRIFLUOROMETHYL)-N-ETHYLANILINE: TECH.;3,5-BIS(TRIFLUROMETHYL)-N-ETHYLANILINE;N1-ethyl-3,5-di(trifluoromethyl)aniline;N-Ethyl-3,5-bis(trifluoromethyl)aniline;3,5-DI(TRIFLUOROMETHYL)-N-ETHYLANILINE;3,5-BIS(TRIFLUOROMETHYL)-N-ETHYLANILINE;3,5-Bis(trifluoromethyl)-N-ethylaniline 97%
• CAS NO: 49850-16-0
• Molecular Formula: C10H9F6N
• Molecular Weight: 257.18
• Mol File: 49850-16-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 96-98°C 15mm
• Flash Point: 79.7 ºC
• Appearance: /
• Density: 1.336 g/cm³
• Vapor Pressure: 0.217mmHg at 25°C
• Refractive Index: 1.437
• Storage Temp.: 2-8°C
• PKA: 3.26±0.25(Predicted)
• CAS DataBase Reference: 3,5-BIS(TRIFLUOROMETHYL)-N-ETHYLANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-BIS(TRIFLUOROMETHYL)-N-ETHYLANILINE(49850-16-0)
• EPA Substance Registry System: 3,5-BIS(TRIFLUOROMETHYL)-N-ETHYLANILINE(49850-16-0)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-36
• Safety Statements: 23-36/37/39-26
• Hazardous Substances Data: 49850-16-0(Hazardous Substances Data)

Usage

General Description

3,5-Bis(trifluoromethyl)-N-ethylaniline is a chemical compound that consists of a central aniline group with two trifluoromethyl (CF3) groups attached at the 3 and 5 positions, and an ethyl group attached at the N position. 3,5-BIS(TRIFLUOROMETHYL)-N-ETHYLANILINE is often used as a building block in the synthesis of various pharmaceuticals and agrochemicals, and it also has potential applications in materials science and organic electronics. Its unique combination of aromatic and electron-withdrawing CF3 groups makes it a valuable intermediate in the development of new chemical compounds with diverse functionalities. However, it is important to handle this compound with care as it is toxic and can cause irritations to the skin, eyes, and respiratory system.

InChI:InChI=1/C10H9F6N/c1-2-17-8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h3-5,17H,2H2,1H3

Upstream product

• 64-17-5 ethanol 
• 328-74-5 3,5-Bis-(trifluoromethyl)aniline 

Relevant articles and documents

Well-Defined Phosphine-Free Iron-Catalyzed N-Ethylation and N-Methylation of Amines with Ethanol and Methanol

An iron(0) complex bearing a cyclopentadienone ligand catalyzed N-methylation and N-ethylation of aryl and aliphatic amines with methanol or ethanol in mild and basic conditions through a hydrogen autotransfer borrowing process is reported. A broad range of aromatic and aliphatic amines underwent mono- or dimethylation in high yields. DFT calculations suggest molecular hydrogen acts not only as a reducing agent but also as an additive to displace thermodynamic equilibria.