2-METHYL-1-NITRO-4-(TRIFLUOROMETHYL)BENZENE

The Benzene, 2-methyl-1-nitro-4-(trifluoromethyl)-, with the CAS registry number 67192-42-1, is also known as 1-Nitro-2-methyl-4-(trifluoromethyl)benzene. This chemical's molecular formula is C₈H₆F₃NO₂ and molecular weight is 205.13. What's more, its IUPAC name is 2-Methyl-1-nitro-4-(trifluoromethyl)benzene.

Physical properties about Benzene, 2-methyl-1-nitro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.2; (6)ACD/BCF (pH 7.4): 114.2; (7)ACD/KOC (pH 5.5): 1033.95; (8)ACD/KOC (pH 7.4): 1033.95; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 42.6 cm³; (15)Molar Volume: 151 cm³; (16)Polarizability: 16.88×10^-24 cm³; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 1.357 g/cm³; (19)Flash Point: 88.7 °C; (20)Enthalpy of Vaporization: 44.08 kJ/mol; (21)Boiling Point: 223 °C at 760 mmHg; (22)Vapour Pressure: 0.146 mmHg at 25 °C.

Uses of Benzene, 2-methyl-1-nitro-4-(trifluoromethyl)-: it is used to produce other chemicals. For example, it is used to produce 2-[1-(4-Methoxy-phenyl)-2-(2-nitro-5-trifluoromethyl-phenyl)-ethyl]-malonic acid dimethyl ester at ambient temperature. This reaction needs reagents Potassium carbonate, Tetrabutylammonium fluoride, 4A Molecular sieves. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 30 minutes. The yield is about 75 %.

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 harmful 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: O=[N+]([O-])c1ccc(cc1C)C(F)(F)F
(2) InChI: InChI=1/C8H6F3NO2/c1-5-4-6(8(9,10)11)2-3-7(5)12(13)14/h2-4H,1H3
(3) InChIKey: PCCXJSOGGOWRJC-UHFFFAOYAU