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CAS No.: | 1155-00-6 |
---|---|
Name: | Bis(2-nitrophenyl) disulfide |
Article Data: | 141 |
Molecular Structure: | |
Formula: | C12H8N2O4S2 |
Molecular Weight: | 308.339 |
Synonyms: | Disulfide,bis(o-nitrophenyl) (7CI,8CI);2,2'-Dinitrodiphenyl disulfide;Bis(o-nitrophenyl) disulfide;NSC 203;NSC646126;o,o'-Dinitrodiphenyl disulfide;o-Nitrophenyl disulfide; |
EINECS: | 214-581-5 |
Density: | 1.52 g/cm3 |
Melting Point: | 194-197 °C(lit.) |
Boiling Point: | 441.9 °C at 760 mmHg |
Flash Point: | 221.1 °C |
Appearance: | yellow to yellow-green crystalline powder |
Safety: | 22-24/25 |
PSA: | 142.24000 |
LogP: | 5.34880 |
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The Disulfide,bis(2-nitrophenyl), with CAS registry number 1155-00-6, has the systematic name of 1,1'-disulfanediylbis(2-nitrobenzene). This chemical is a kind of yellow to yellow-green crystalline powder. When use it, do not breathe dust and avoid contact with skin and eyes. What's more, its EINECS is 214-581-5.
Physical properties of Disulfide,bis(2-nitrophenyl): (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 214.41; (6)ACD/BCF (pH 7.4): 214.41; (7)ACD/KOC (pH 5.5): 1622.99; (8)ACD/KOC (pH 7.4): 1622.99; (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: 1.718; (14)Molar Refractivity: 79.55 cm3; (15)Molar Volume: 201.7 cm3; (16)Polarizability: 31.53×10-24cm3; (17)Surface Tension: 76.3 dyne/cm; (18)Enthalpy of Vaporization: 67.23 kJ/mol; (19)Vapour Pressure: 1.36E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-nitro-benzenethiol. This reaction will need reagent air.
Uses of Disulfide,bis(2-nitrophenyl): it can be used to produce 2-nitro-benzenethiol. This reaction will need reagents NaOH, Glucose and solvents ethanol, H2O. The reaction time is 45 hour(s) with reaction temperature of 75 ℃. The yield is about 76%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2c(SSc1ccccc1[N+]([O-])=O)cccc2
(2)InChI: InChI=1/C12H8N2O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H
(3)InChIKey: NXCKJENHTITELM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H8N2O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H
(5)Std. InChIKey: NXCKJENHTITELM-UHFFFAOYSA-N