1.Introduction of Tetrachloro[2.2]paracyclophane

The Tetrachloro[2.2]paracyclophane, with the CAS registry number 30501-29-2, is also known as Tetrachlorotricyclo(8.2.2.24,7)hexadeca-1(12),4,6,10,13,15-hexaene, mixed isomers. Its EINECS registry number is 250-223-4. This chemical's molecular formula is C₁₆H₁₂Cl₄ and molecular weight is 346.083. Its systematic name is called tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 2,2,3,3-tetrachloro-.

2.Physical properties of  Tetrachloro[2.2]paracyclophane

(1)ACD/LogP: 7.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.87; (4)ACD/LogD (pH 7.4): 7.87; (5)ACD/BCF (pH 5.5): 567580.38; (6)ACD/BCF (pH 7.4): 567580.38; (7)ACD/KOC (pH 5.5): 457407.81; (8)ACD/KOC (pH 7.4): 457407.81; (10)Index of Refraction: 1.637; (11)Molar Refractivity: 87.28 cm³; (12)Molar Volume: 242.9 cm³; (13)Surface Tension: 52.2 dyne/cm; (14)Density: 1.42 g/cm³; (15)Flash Point: 180.5 °C; (16)Enthalpy of Vaporization: 61.03 kJ/mol; (17)Boiling Point: 386.3 °C at 760 mmHg; (18)Vapour Pressure: 7.98E-06 mmHg at 25°C; (19)Melting Point: 130-140 °C.

3.Structure descriptors of Tetrachloro[2.2]paracyclophane

(1)SMILES: c1cc2ccc1CCc3ccc(cc3)C(C2(Cl)Cl)(Cl)Cl
(2)InChI: InChI=1/C16H12Cl4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(15,19)20/h3-10H,1-2H2
(3)InChIKey: ZIYLWNAQHXLPAW-UHFFFAOYAA