Ethyl 2-(4-chlorophenoxy)acetate

The IUPAC name of Ethyl 2-(4-chlorophenoxy)acetate is ethyl 2-(4-chlorophenoxy)acetate. With the CAS registry number 14426-42-7, it is also named as Acetic acid, (4-chlorophenoxy)-, ethyl ester. In addition, its molecular formula is C₁₀H₁₁ClO₃ and molecular weight is 214.65.

The other characteristics of Ethyl 2-(4-chlorophenoxy)acetate can be summarized as: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.39; (6)ACD/BCF (pH 7.4): 58.39; (7)ACD/KOC (pH 5.5): 639.64; (8)ACD/KOC (pH 7.4): 639.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 53.49 cm³; (15)Molar Volume: 178.3 cm³; (16)Polarizability: 21.2×10^-24cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.203 g/cm³; (19)Flash Point: 114.9 °C; (20)Water Solubility: 815 mg/L at 25 °C; (21)Enthalpy of Vaporization: 52.26 kJ/mol; (22)Boiling Point: 283.6 °C at 760 mmHg; (23)Vapour Pressure: 0.00313 mmHg at 25 °C.

Preparation of Ethyl 2-(4-chlorophenoxy)acetate: this chemical can be prepared by the reaction of chloroacetic acid ethyl ester with 4-chloro-phenol.



This reaction needs methyl trichloroacetate, K₂CO₃, 18-crown-6 at temperature of 150 °C for 2 hours. The yield is 80 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccc(OCC(=O)OCC)cc1
(2)InChI: InChI=1/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
(3)InChIKey: QULRDJFRGVHKLN-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H11ClO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3
(5)Std. InChIKey: QULRDJFRGVHKLN-UHFFFAOYSA-N