3,5-Dinitrobenzotrifluoride

The IUPAC name of Benzene,1,3-dinitro-5-(trifluoromethyl)- is 1,3-dinitro-5-(trifluoromethyl)benzene. With the CAS registry number 401-99-0, it is also named as alpha,alpha,alpha-Trifluoro-3,5-dinitrotoluene. The product's categories are aromatic halides (substituted); nitro compounds; nitrogen compounds; organic building blocks. It is light yellow crystalline powder which is toxic. In addition, Benzene,1,3-dinitro-5-(trifluoromethyl)- is used as an important intermediate in the production of fluorine-containing herbicides, pharmaceuticals and dye.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.45; (6)ACD/BCF (pH 7.4): 38.45; (7)ACD/KOC (pH 5.5): 474.35; (8)ACD/KOC (pH 7.4): 474.35; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 44.32 cm³; (14)Molar Volume: 146.6 cm³; (15)Polarizability: 17.57×10^-24 cm³; (16)Surface Tension: 42.9 dyne/cm; (17)Enthalpy of Vaporization: 46.36 kJ/mol; (18)Vapour Pressure: 0.0434 mmHg at 25°C; (19)Exact Mass: 236.004491; (20)MonoIsotopic Mass: 236.004491; (21)Topological Polar Surface Area: 91.6; (22)Heavy Atom Count: 16; (23)Complexity: 274.

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(cc([N+]([O-])=O)c1)[N+]([O-])=O;
2. InChI: InChI=1/C7H3F3N2O4/c8-7(9,10)4-1-5(11(13)14)3-6(2-4)12(15)16/h1-3H.