1.Introduction of 2-Chlorodiphenyl ether

The Benzene,1-chloro-2-phenoxy-, with CAS registry number 2689-07-8, has the systematic name of 1-chloro-2-phenoxybenzene. And its IUPAC name is the same one. Besides this, it is also called Ether, o-chlorophenyl phenyl (8CI). And the chemical formula of this chemical is C₁₂H₉ClO.

2.Physical properties of 2-Chlorodiphenyl ether

(1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.59; (4)ACD/LogD (pH 7.4): 4.59; (5)ACD/BCF (pH 5.5): 1812.6; (6)ACD/BCF (pH 7.4): 1812.6; (7)ACD/KOC (pH 5.5): 7479.79; (8)ACD/KOC (pH 7.4): 7479.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 57.59 cm³; (15)Molar Volume: 171.9 cm³; (16)Polarizability: 22.83×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Enthalpy of Vaporization: 48.47 kJ/mol; (19)Vapour Pressure: 0.0137 mmHg at 25°C.

3.Structure descriptors of 2-Chlorodiphenyl ether

(1)SMILES: Clc2ccccc2Oc1ccccc1
(2)InChI: InChI=1/C12H9ClO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
(3)InChIKey: IPBRZLMGGXHHMS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H9ClO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
(5)Std. InChIKey: IPBRZLMGGXHHMS-UHFFFAOYSA-N