Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene,dichloro- (28804-46-8)

The CAS register number of Dichloro[2,2]paracyclophane is 28804-46-8. It also can be called as 5,11-Dichlorotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene and the systematic name about this chemical is 5,12-dichlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene. The molecular formula about this chemical is C₁₆H₁₄Cl₂ and the molecular weight is 277.19.

Physical properties about Dichloro[2,2]paracyclophane are: (1)ACD/LogP: 6.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 147541; (6)ACD/BCF (pH 7.4): 147541; (7)ACD/KOC (pH 5.5): 174376; (8)ACD/KOC (pH 7.4): 174376; (9)Index of Refraction: 1.603; (10)Molar Refractivity: 77.421 cm³; (11)Molar Volume: 225.449 cm³; (12)Polarizability: 30.692x10^-24cm³; (13)Surface Tension: 43.391 dyne/cm; (14)Flash Point: 181.488 °C; (15)Enthalpy of Vaporization: 61.439 kJ/mol; (16)Boiling Point: 389.967 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1CCc3cc(Cl)c(CCc2cc1)cc3
(2)InChI: InChI=1/C16H14Cl2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
(3)InChIKey: KAWOYOQFRXSZQI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C16H14Cl2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
(5)Std. InChIKey: KAWOYOQFRXSZQI-UHFFFAOYSA-N

The toxicity data is as follows: