5,6-dichloro-1,2-dihydroacenaphthylene

The 5, 6-Dichloroacenaphthene, with the CAS registry number of 4208-97-3, is also known as Acenaphthylene, 5, 6-dichloro-1, 2-dihydro-. Its EINECS registry number is 224-133-0. This chemical's molecular formula is C₁₂H₈Cl₂ and molecular weight is 223.0979. What's more, its IUPAC name is 5, 6-Dichloro-1, 2-dihydroacenaphthylene.

Physical properties about 5, 6-Dichloroacenaphthene are: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3706.42; (6)ACD/BCF (pH 7.4): 3706.42; (7)ACD/KOC (pH 5.5): 12481.07; (8)ACD/KOC (pH 7.4): 12481.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 61.44 cm³; (15)Molar Volume: 158.8 cm³; (16)Surface Tension: 53.2 dyne/cm; (17)Density: 1.404 g/cm³; (18)Flash Point: 173.3 °C; (19)Enthalpy of Vaporization: 57.05 kJ/mol; (20)Boiling Point: 349.5 °C at 760 mmHg; (21)Vapour Pressure: 9.47E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by Acenaphthene. This reaction needs reagents SO₂Cl₂ and AlCl₃. Meanwhile, it needs solvent Nitrobenzene. The reaction time is 2 hours. The yield is about 60 %.

Uses of 5, 6-Dichloroacenaphthene: it is used to produce other chemicals. For example, it is used to produce 5, 6-Dichloroacenaphthylene by heating. The reaction needs reagent DDQ and solvent Benzene. The yield is about 37 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc3c2c1c(Cl)ccc2CC3
(2) InChI: InChI=1/C12H8Cl2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h3-6H,1-2H2
(3) InChIKey: QQTNONSQLWTQPU-UHFFFAOYAH