Benzenamine,N-ethyl-3,5-bis(trifluoromethyl)- (49850-16-0)

The 3,5-Bis(trifluoromethyl)-N-ethylaniline, with its CAS registry number 49850-16-0, has the systematic name of N-ethyl-3,5-bis(trifluoromethyl)aniline. And it has the chemical formula of C₁₀H₉F₆N.

The characteristics of 5,8-Dibromoisoquinoline are as below: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.11; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 4478.76; (6)ACD/BCF (pH 7.4): 4504.27; (7)ACD/KOC (pH 5.5): 14268.63; (8)ACD/KOC (pH 7.4): 14349.89; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 50.45 cm³; (15)Molar Volume: 192.4 cm³; (16)Polarizability: 20×10^-24 cm³; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 1.336 g/cm³; (19)Flash Point: 79.7 °C; (20)Enthalpy of Vaporization: 44.44 kJ/mol; (21)Boiling Point: 208.2 °C at 760 mmHg ; (22)Vapour Pressure: 0.217 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. This is irritating to eyes, respiratory system and skin and may then cause inflammation to the skin or other mucous membranes. And if by inhalation, in contact with skin and if swallowed, it will be dangerous to our body. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:FC(F)(F)c1cc(NCC)cc(c1)C(F)(F)F
(2)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
(3)InChIKey:WOIXGFNIYODSEA-UHFFFAOYAR