2,4,6-Trifluoroaniline (363-81-5)

The IUPAC name of this chemical is 2,4,6-trifluoroaniline. With the CAS registry number 363-81-5, it is also named as 2-Amino-1,3,5-trifluorobenzene; Benzenamine, 2,4,6-trifluoro-. The product's categories are anilines, aromatic amines and nitro compounds, fluorobenzene, miscellaneous and nitrogen compounds. It is colorless to light grey crystals which should avoid to contact with strong oxidising agents and strong acids. This chemical must be protected from moisture and heat.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.43; (6)ACD/BCF (pH 7.4): 17.43; (7)ACD/KOC (pH 5.5): 269.19; (8)ACD/KOC (pH 7.4): 269.25; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 30.47 cm³; (14)Molar Volume: 104.3 cm³; (15)Polarizability: 12.07×10^-24 cm³; (16)Surface Tension: 35.3 dyne/cm; (17)Enthalpy of Vaporization: 38.85 kJ/mol; (18)Vapour Pressure: 3.63 mmHg at 25°C; (19)Exact Mass: 147.029584; (20)MonoIsotopic Mass: 147.029584; (21)Topological Polar Surface Area: 26; (22)Heavy Atom Count: 10.

Uses of 2,4,6-Trifluoroaniline: 1. It can react with indole-7-carbaldehyde to get (1H-indol-7-ylmethylene)-(2,4,6-trifluoro-phenyl)-amine. This reaction needs reagent p-TsOH. The yield is 72%.



2. It also reacts with carbonochloridic acid phenyl ester to obtain (2,4,6-trifluoro-phenyl)-carbamic acid phenyl ester. This reaction needs reagent N,N-dimethylaniline and solvent toluene at ambient temperature. The reaction time is 20 hours. The yield is 91%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable. And it is harmful in contact with skin and if swallowed and is irritating to eyes and respiratory system. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: Fc1cc(F)c(N)c(F)c1;
2. InChI: InChI=1/C6H4F3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2.