N-(P-CHLOROPHENYL)URETHANE

The Carbamic acid,N-(4-chlorophenyl)-,ethyl ester, with the CAS registry number of 2621-80-9, is also known as Ethyl N-(p-chlorophenyl)carbamate. The molecular formula of this chemical is C₉H₁₀ClNO₂ and its molecular weight is 199.63. What's more, its IUPAC name is Ethyl N-(4-chlorophenyl)carbamate.

Physical properties about Carbamic acid,N-(4-chlorophenyl)-,ethyl ester are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 167.48; (6)ACD/BCF (pH 7.4): 167.48; (7)ACD/KOC (pH 5.5): 1359.94; (8)ACD/KOC (pH 7.4): 1359.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 51.79 cm³; (15)Molar Volume: 157.3 cm³; (16)Polarizability: 20.53×10^-24 cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.268 g/cm³; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 47.69 kJ/mol; (21)Boiling Point: 240 °C at 760 mmHg; (22)Vapour Pressure: 0.0388 mmHg at 25 °C.

Preparation of Carbamic acid,N-(4-chlorophenyl)-,ethyl ester: this chemical is prepared by reaction of Ethanol with Formic acid-(4-chloro-anilide) in the condition of heating. The reaction needs reagent Pb(OAc)₄ and solvent CCl₄. The reaction time is 40 minutes. The yield is about 93 %.

Uses of Carbamic acid,N-(4-chlorophenyl)-,ethyl ester: it is used to produce other chemicals. For example, it can react with Dimethylamine to produce N'-(4-Chloro-phenyl)-N,N-dimethyl-urea. This reaction needs solvent 1,2-Dichloro-benzene. The reaction time is 4 hours with reaction temperature of 182 °C. The yield is about 87 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(NC(=O)OCC)cc1
(2) InChI: InChI=1/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
(3) InChIKey: WSKXXIMERYQVGJ-UHFFFAOYAY