3',4'-DIMETHYL-BIPHENYL-4-CARBOXYLIC ACID

This chemical is called [1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dimethyl-, and it can also be named as : 4-(3,4-Dimethylphenyl)benzoic acid. With the molecular formula of C₁₅H₁₄O₂, its molecular weight is 226.27. The CAS registry number of this chemical is 122294-09-1, and its systematic name is 3',4'-Dimethylbiphenyl-4-carboxylic acid. 

Other characteristics of the [1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dimethyl- can be summarised as followings: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.39; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 108.79; (6)ACD/BCF (pH 7.4): 2.9; (7)ACD/KOC (pH 5.5): 431.37; (8)ACD/KOC (pH 7.4): 11.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Ų; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 67.42 cm³; (15)Molar Volume: 199.7 cm³; (16)Polarizability: 26.72×10^-24 cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.132 g/cm³; (19)Flash Point: 180.6 °C; (20)Enthalpy of Vaporization: 67.45 kJ/mol; (21)Boiling Point: 390.1 °C at 760 mmHg; (22)Vapour Pressure: 8.76E-07 mmHg at 25°C.

Production method of this chemical: The [1,1'-Biphenyl]-4-carboxylicacid, 3',4'-dimethyl- could be obtained by the reactant of 3',4'-Dimethyl-biphenyl-4-carboxylic acid methyl ester. This reaction needs the reagent of 30percent NaOH, and the solvent of ethanol. The yield is 50 %. In addition, this reaction should be taken for 2 hours at the temperature of 60 °C.



You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ccc(c1cc(c(cc1)C)C)cc2
2.InChI: InChI=1/C15H14O2/c1-10-3-4-14(9-11(10)2)12-5-7-13(8-6-12)15(16)17/h3-9H,1-2H3,(H,16,17)
3.InChIKey: GFGYCDJAIZGZTK-UHFFFAOYAL