N,N-Bis(trifluoromethyl)aniline

Base Information

• Chemical Name: N,N-Bis(trifluoromethyl)aniline
• CAS No.: 3700-19-4
• Molecular Formula: C8H5F6N
• Molecular Weight: 229.125
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID20190497
• Nikkaji Number: J940.859B
• Wikidata: Q83062871
• Mol file: 3700-19-4.mol

Synonyms:N,N-Bis(trifluoromethyl)aniline;3700-19-4;bis(trifluoromethyl)aniline;BIS(TRIFLUOROMETHYL) ANILINE;Benzenamine, N,N-bis(trifluoromethyl)-;SCHEMBL728216;DTXSID20190497;JBGNFLUETJDDBA-UHFFFAOYSA-N;3-(TRIMETHYLSILYLOXY)CROTONICACIDMETHYLESTER

Chemical Property of N,N-Bis(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 21.9mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 112.3 °C at 760 mmHg
• Flash Point: 21.7 °C
• PSA: 3.24000
• Density: 1.43 g/cm³
• LogP: 3.53260
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 229.03261814
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

BIS-(TRIFLUOROMETHYL)ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(C(F)(F)F)C(F)(F)F

Technology Process of N,N-Bis(trifluoromethyl)aniline

There total 11 articles about N,N-Bis(trifluoromethyl)aniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

p-chloro-N,N-bis(trifluoromethyl)aniline (10218-92-5) → N,N-bis(trifluoromethyl)aniline (3700-19-4)

Guidance literature:

With potassium hydroxide; hydrogen; nickel; In methanol;

DOI:10.1007/BF02218711

Reference yield: 60.0%

perfluoro(2,4-dimethyl-3-oxa-2,4-diazapentane) (6141-72-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → N,N-bis(trifluoromethyl)aniline (3700-19-4)

Guidance literature:

at 20 ℃; for 504h;

DOI:10.1016/S0022-1139(00)85265-3

Reference yield: 15.0%

N,N-bis(trifluoromethyl)hydroxylamine (359-63-7) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) + isopentyl nitrite (110-46-3) → N,N-bis(trifluoromethyl)aniline (3700-19-4)

Guidance literature:

In dichloromethane; acetone; for 3h; Heating;

DOI:10.1016/S0022-1139(00)85253-7

upstream raw materials:

Perfluoro-2-azapropen

N,N-bis(trifluoromethyl)hydroxylamine

anthranilic acid

isopentyl nitrite