4-TRIFLUOROMETHYLPHTHALIC ACID

This chemical is called 4-Trifluoromethylphthalic acid, and its systematic name is 4-(trifluoromethyl)benzene-1,2-dicarboxylic acid. With the molecular formula of C₉H₅F₃O₄, its molecular weight is 234.13. The CAS registry number of this chemical is 835-58-5. Additionally, its product categories are 

Other characteristics of the 4-Trifluoromethylphthalic acid can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -1.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 45.09 cm³; (15)Molar Volume: 148 cm³; (16)Polarizability: 17.87×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.581 g/cm³; (19)Flash Point: 166 °C; (20)Enthalpy of Vaporization: 62.85 kJ/mol; (21)Boiling Point: 350.9 °C at 760 mmHg; (22)Vapour Pressure: 1.59E-05 mmHg at 25°C.

Production method of this chemical: The 4-Trifluoromethylphthalic acid could be obtained by the reactant of 1,2-dimethyl-4-trifluoromethylbenzene. This reaction needs the reagents of CrO₃, H₂SO₄ conc, and the solvent of acetic acid. The yield is 82 %. In addition, this reaction should be taken for 4 hours at the temperature of 15-40 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c1cc(c(C(=O)O)cc1)C(=O)O
2.InChI: InChI=1/C9H5F3O4/c10-9(11,12)4-1-2-5(7(13)14)6(3-4)8(15)16/h1-3H,(H,13,14)(H,15,16)
3.InChIKey: VNLYHYHJIXGBFX-UHFFFAOYAN