2-(4-Chlorophenoxy)phenylacetic acid

The 2-(4-Chlorophenoxy)phenylacetic acid is an organic compound with the formula C₁₄H₁₁ClO₃. The systematic name of this chemical is [2-(4-chlorophenoxy)phenyl]acetic acid. With the CAS registry number 25563-04-6, it is also named as benzeneacetic acid, 2-(4-chlorophenoxy)-.

Physical properties about 2-(4-Chlorophenoxy)phenylacetic acid are: (1)ACD/LogP: 4.10; (2)ACD/LogD (pH 5.5): 2.68; (3)ACD/LogD (pH 7.4): 0.93; (4)ACD/BCF (pH 5.5): 29.38; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 155.07; (7)ACD/KOC (pH 7.4): 2.74; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 46.53 Å²; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 68.7 cm³; (14)Molar Volume: 199.4 cm³; (15)Polarizability: 27.23×10^-24cm³; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.317 g/cm³; (18)Flash Point: 194.3 °C; (19)Enthalpy of Vaporization: 68.35 kJ/mol; (20)Boiling Point: 397.7 °C at 760 mmHg; (21)Vapour Pressure: 4.88E-07 mmHg at 25°C.

Preparation of 2-(4-Chlorophenoxy)phenylacetic acid: this chemical can be prepared by 2-(4-Chlor-phenoxy)-phenylacetonitril. This reaction will need reagent KOH and solvents ethanol, H₂O. The reaction time is 3 hours by heating. The yield is about 76%.

Uses of 2-(4-Chlorophenoxy)phenylacetic acid: it can be used to produce 8-chloro-11H-dibenzo[b,f]oxepin-10-one at temperature of 80 - 90 °C. It will need reagent polyphosphoric acid with reaction time of 30 min.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(Oc1ccccc1CC(O)=O)cc2
(2)InChI: InChI=1/C14H11ClO3/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17)
(3)InChIKey: ALMJMOPIBISVHZ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H11ClO3/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17)
(5)Std. InChIKey: ALMJMOPIBISVHZ-UHFFFAOYSA-N