Disulfide,bis(4-chloro-2-nitrophenyl) (2050-66-0)

The 2,2'-Dinitro-4,4'-dichlorodiphenyl disufide with the CAS number 2050-66-0 is also called Disulfide,bis(4-chloro-2-nitrophenyl). The systematic name is 1,1'-disulfanediylbis(4-chloro-2-nitrobenzene). Its molecular formula is C₁₂H₆Cl₂N₂O₄S₂. The EINECS registry number is 218-094-9.

The properties of the 2,2'-Dinitro-4,4'-dichlorodiphenyl disufide are: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.23; (4)ACD/LogD (pH 7.4): 5.23; (5)ACD/BCF (pH 5.5): 5546.01; (6)ACD/BCF (pH 7.4): 5546.01; (7)ACD/KOC (pH 5.5): 16654.58; (8)ACD/KOC (pH 7.4): 16654.58; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 142.24 Å²; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 89.21 cm³; (15)Molar Volume: 223.5 cm³; (16)Polarizability: 35.36×10^-24cm³; (17)Surface Tension: 80.9 dyne/cm; (18)Enthalpy of Vaporization: 71.25 kJ/mol; (19)Vapour Pressure: 8.42×10^-9 mmHg at 25°C.

Uses: This chemical can react with 1,3-diphenyl-propenone to prepare 7-chloro-2,4-diphenyl-2,3-dihydro-benzo[b][1,4]thiazepine. This reaction needs reagent SmI₂ and solvent tetrahydrofuran at temperature of 20 °C. The reaction time is 3.0 hours. The yield is 72%. The reaction type is reductive cyclocondensation.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c(SSc1ccc(Cl)cc1[N+]([O-])=O)cc2)[N+]([O-])=O
(2)InChI: InChI=1/C12H6Cl2N2O4S2/c13-7-1-3-11(9(5-7)15(17)18)21-22-12-4-2-8(14)6-10(12)16(19)20/h1-6H
(3)InChIKey: DESADCWXGJLRSR-UHFFFAOYAQ