BENZOIC ACID 4-BIPHENYL ESTER

1.Introduction of 4-Biphenyl benzoate

The 4-Biphenyl benzoate, it can also be named as Benzoic acid, 4-biphenylyl ester. With the molecular formula of C₁₉H₁₄O₂, its molecular weight is 274.31. The CAS registry number of this chemical is 2170-13-0, and its product categories are Biphenyl & Diphenyl ether; Biphenyls (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Additionally, the systematic name of this chemical is Biphenyl-4-yl benzoate.

2. Properties of 4-Biphenyl benzoate

(1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Ų; (7)Index of Refraction: 1.609; (8)Molar Refractivity: 82.48 cm³; (9)Molar Volume: 238.1 cm³; (10)Polarizability: 32.7×10^-24 cm³; (11)Surface Tension: 45.3 dyne/cm; (12)Density: 1.151 g/cm³; (13)Flash Point: 180.9 °C; (14)Enthalpy of Vaporization: 68.29 kJ/mol; (15)Boiling Point: 427.9 °C at 760 mmHg; (16)Vapour Pressure: 1.58E-07 mmHg at 25°C.

3. Structure descriptors of 4-Biphenyl benzoate

1.SMILES: O=C(Oc1ccc(cc1)c2ccccc2)c3ccccc3
2.InChI: InChI=1/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
3.InChIKey: CINHWMYRCOGYIX-UHFFFAOYAT

4.Production method of 4-Biphenyl benzoate

The 4-Biphenyl benzoate could be obtained by the reactants of benzoyl chloride and biphenyl-4-ol. This reaction needs the reagent of pyridine. The yield is 99 %. In addition, this reaction should be taken for 30 minutes. The other condition is heating.



5.Uses of 4-Biphenyl benzoate

The 4-Biphenyl benzoate could be obtained by the reactant of [1,1'-Biphenyl]-4-ol,4-benzoate. This reaction needs the reagents of Br₂, NaOAc and AcOH. The yield is 98%. This reaction should be taken for 20 hours at the temperature of 90 °C.