ETHYL 4-CHLOROPHENYLACETATE

This chemical is called Ethyl (4-chlorophenyl)acetate, and it can also be named as benzeneacetic acid, 4-chloro-, ethyl ester. With the molecular formula of C₁₀H₁₁ClO₂, its molecular weight is 198.65. The CAS registry number of this chemical is 14062-24-9.

Other characteristics of the Ethyl (4-chlorophenyl)acetate can be summarised as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.89; (6)ACD/BCF (pH 7.4): 131.89; (7)ACD/KOC (pH 5.5): 1146.18; (8)ACD/KOC (pH 7.4): 1146.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 51.73 cm³; (15)Molar Volume: 170.6 cm³; (16)Polarizability: 20.51×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.163 g/cm³; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 49.6 kJ/mol; (21)Boiling Point: 258.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0137 mmHg at 25°C.

Production method of this chemical: The Ethyl (4-chlorophenyl)acetate could be obtained by the reactants of (4-chloro-phenyl)-acetic acid and ethanol. This reaction needs the reagent of HCl.

Uses of this chemical: The Ethyl (4-chlorophenyl)acetate could react with formaldehyde, and obtain the 2-(4-chloro-phenyl)-3-hydroxy-proπonic acid ethyl ester. This reaction needs the reagent of sodium ethylate, and the solvents of ethanol, dimethylsulfoxide. The yield is 50 %. In addition, this reaction should be taken for 0.5 hour at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful / irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1ccc(cc1)CC(=O)OCC
2.InChI: InChI=1/C10H11ClO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
3.InChIKey: UTWBWFXECVFDPZ-UHFFFAOYAW