Carbamic acid,N,N-dichloro-, ethyl ester (13698-16-3)

The CAS register number of N,N-Dichlorourethane is 13698-16-3. It also can be called as Carbamic acid, N,N-dichloro-, ethyl ester and the systematic name about this chemical is ethyl N,N-dichlorocarbamate. It is used as intermediates in organic synthesis.

Physical properties about N,N-Dichlorourethaner are: (1)ACD/LogP: 2.23 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.23 ; (4)ACD/LogD (pH 7.4): 2.23 ; (5)ACD/BCF (pH 5.5): 29.27; (6)ACD/BCF (pH 7.4): 29.27; (7)ACD/KOC (pH 5.5): 390.22; (8)ACD/KOC (pH 7.4): 390.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54Ų; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 31.14 cm³; (15)Molar Volume: 111.5 cm³; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.416 g/cm³; (18)Flash Point: 96.7 °C; (19)Enthalpy of Vaporization: 39.57 kJ/mol; (20)Boiling Point: 159 °C at 760 mmHg; (21)Vapour Pressure: 2.55 mmHg at 25°C.

Uses of N,N-Dichlorourethane: It reacts with butoxyethene to get C₉H₁₇Cl₂NO₃. This reaction needs solvent benzene. The yield is 95.9 %.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed and irritating to eyes, respiratory system and skin. Limited evidence of a carcinogenic effect. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: ClN(Cl)C(=O)OCC
2.InChI: InChI=1/C3H5Cl2NO2/c1-2-8-3(7)6(4)5/h2H2,1H3
3.InChIKey: PCGGNOFZZFFFLU-UHFFFAOYAC
4.Std. InChI: InChI=1S/C3H5Cl2NO2/c1-2-8-3(7)6(4)5/h2H2,1H3