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Name |
2,2'-Dinitro-4,4'-dichlorodiphenyl disufide |
EINECS | 218-094-9 |
CAS No. | 2050-66-0 | Density | 1.68g/cm3 |
PSA | 142.24000 | LogP | 6.65560 |
Solubility | N/A | Melting Point |
214.0 to 218.0 °C |
Formula | C12H6Cl2N2O4S2 | Boiling Point | 476.9 °C at 760 mmHg |
Molecular Weight | 377.229 | Flash Point | 242.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Bis(2-nitro-4-chlorophenyl)disulfide;Bis(4-chloro-2-nitrophenyl) disulfide;NSC 6334; |
Article Data | 25 |
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