2-Methyl-4-(trifluoromethoxy)aniline

The Benzenamine, 2-methyl-4-(trifluoromethoxy)-, with the CAS registry number of 86256-59-9, is also known as 4-Trifluoromethoxy-o-toluidine and 4-Trifluoromethoxy-2-methylaniline. This chemical's molecular formula is C₈H₈F₃NO and molecular weight is 191.15. What's more, its IUPAC name is 2-Methyl-4-(trifluoromethoxy)aniline. In addition, it should be stored in dry, cool, airtight place. Avoid contact with oxidant, otherwise it would decompose.

Physical properties about Benzenamine, 2-methyl-4-(trifluoromethoxy)- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.3; (6)ACD/BCF (pH 7.4): 29.66; (7)ACD/KOC (pH 5.5): 389.12; (8)ACD/KOC (pH 7.4): 393.88; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 42.44 cm³; (15)Molar Volume: 148.3 cm³; (16)Polarizability: 16.82×10^-24 cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.288 g/cm³; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 44.31 kJ/mol; (21)Boiling Point: 206.9 °C at 760 mmHg; (22)Vapour Pressure: 0.232 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is very toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. 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)Oc1cc(c(cc1)N)C
(2) InChI: InChI=1/C8H8F3NO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3
(3) InChIKey: IIDBMILLZRYZCH-UHFFFAOYAX