4-CHLORO-6-METHYL-5-NITRO-2-(TRIFLUOROMETHYL)QUINOLINE

The Quinoline,4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)-, with the CAS registry number 175203-61-9, has the systematic name of 4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline. It belongs to the product categories of Quinoline & Isoquinoline. And the molecular formula of the chemical is C₁₁H₆ClF₃N₂O₂.

The characteristics of Quinoline,4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 440.34; (6)ACD/BCF (pH 7.4): 440.34; (7)ACD/KOC (pH 5.5): 2716.61; (8)ACD/KOC (pH 7.4): 2716.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 63.43 cm³; (15)Molar Volume: 190.3 cm³; (16)Polarizability: 25.14×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.526 g/cm³; (19)Flash Point: 150.3 °C; (20)Enthalpy of Vaporization: 54.45 kJ/mol; (21)Boiling Point: 324.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00045 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc2nc(cc(Cl)c12)C(F)(F)F)C
(2)InChI: InChI=1/C11H6ClF3N2O2/c1-5-2-3-7-9(10(5)17(18)19)6(12)4-8(16-7)11(13,14)15/h2-4H,1H3
(3)InChIKey: AONWLLRFRJIKFS-UHFFFAOYAV