2,4-dichloro-3,5-dinitrobenzotrifluoride (29091-09-6)

The IUPAC name of 2,4-Dichloro-3,5-dinitrobenzotrifluoride is 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene. With the CAS registry number 29091-09-6, it is also named as Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-. And it is white to light yellow crystal powder which is toxic. In addition, 2,4-Dichloro-3,5-dinitrobenzotrifluoride is used as intermediate in pesticide, medicine and organic synthesis.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.32; (6)ACD/KOC (pH 5.5): 1370.64; (7)ACD/KOC (pH 7.4): 1370.64; (8)#H bond acceptors: 6; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 54.11 cm³; (13)Molar Volume: 170.5 cm³; (14)Polarizability: 21.45×10^-24 cm³; (15)Surface Tension: 47.2 dyne/cm; (16)Enthalpy of Vaporization: 53.37 kJ/mol; (17)Vapour Pressure: 0.000849 mmHg at 25°C; (18)Exact Mass: 303.926547; (19)MonoIsotopic Mass: 303.926547; (20)Topological Polar Surface Area: 91.6; (21)Heavy Atom Count: 18; (22)Complexity: 356.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin. 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: FC(F)(F)c1cc(c(Cl)c([N+]([O-])=O)c1Cl)[N+]([O-])=O;
2. InChI: InChI=1/C7HCl2F3N2O4/c8-4-2(7(10,11)12)1-3(13(15)16)5(9)6(4)14(17)18/h1H.