2-Methyl-3-trifluoromethylaniline

The IUPAC name of this chemical is 2-Methyl-3-trifluoromethylaniline. With the CAS registry number 54396-44-0 and EINECS registry number 259-145-5, it is also named as benzenamine,2-methyl-3-(trifluoromethyl)-. In addition, the molecular formula is C₈H₈F₃N and the molecular weight is 175.15. It belongs to the classes of Trifluoromethylbenzene serise; API Intermediates; Amines; C8; Nitrogen Compounds. And it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 2.85; (3)ACD/LogD (pH 7.4): 2.85; (4)ACD/BCF (pH 5.5): 85.85; (5)ACD/BCF (pH 7.4): 86.3; (6)ACD/KOC (pH 5.5): 841.66; (7)ACD/KOC (pH 7.4): 846.08; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.481; (13)Molar Refractivity: 40.29 cm³; (14)Molar Volume: 141.4 cm³; (15)Polarizability: 15.97 ×10^-24cm³; (16)Surface Tension: 28.8 dyne/cm; (17)Density: 1.237 g/cm³; (18)Flash Point: 83.8 °C; (19)Enthalpy of Vaporization: 43.92 kJ/mol; (20)Boiling Point: 203 °C at 760 mmHg; (21)Vapour Pressure: 0.284 mmHg at 25°C.

Preparation of 2-Methyl-3-trifluoromethylaniline: it can be prepared by 2,2-dimethyl-N-(2-methyl-3-trifluoromethyl-phenyl)-propionamide. This reaction will need reagent KOH and solvent ethane-1,2-diol. The reaction time is 8 hours at reaction temperature of 160 °C. The yield is about 78.3%.

Uses of 2-Methyl-3-trifluoromethylaniline: it can react with 2-chloro-nicotinic acid ethyl ester to get 2-(2-methyl-3-trifluoromethyl-anilino)-nicotinic acid ethyl ester. This reaction will need solvent ethane-1,2-diol. The reaction time is 6 hours at reaction temperature of 160 °C. The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. And it is very toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(N)c1C
(2)InChI: InChI=1/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3
(3)InChIKey: TWLDBACVSHADLI-UHFFFAOYAB