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Name |
Benzene,1,1'-sulfinylbis[2-nitro- (9Cl) |
EINECS | N/A |
CAS No. | 30388-70-6 | Density | 1.58 g/cm3 |
PSA | 127.92000 | LogP | 4.58180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H8N2O5S | Boiling Point | 524.2 °C at 760 mmHg |
Molecular Weight | 292.272 | Flash Point | 270.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-nitro-2-[(2-nitrophenyl)sulfinyl]benzene |
Article Data | 3 |
The Benzene,1,1'-sulfinylbis[2-nitro- (9Cl) has CAS registry number 30388-70-6. This chemical's molecular formula is C12H8N2O5S and molecular weight is 292.27. What's more, its IUPAC name is 1-nitro-2-(2-nitrophenyl)sulfinylbenzene.
Physical properties of Benzene,1,1'-sulfinylbis[2-nitro- (9Cl) are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 127.92 Å2; (7)Index of Refraction: 1.715; (8)Molar Refractivity: 72.4 cm3; (9)Molar Volume: 184.1 cm3; (10)Polarizability: 28.7×10-24cm3; (11)Surface Tension: 88.2 dyne/cm; (12)Density: 1.58 g/cm3; (13)Flash Point: 270.8 °C; (14)Enthalpy of Vaporization: 76.8 kJ/mol; (15)Boiling Point: 524.2 °C at 760 mmHg; (16)Vapour Pressure: 1.47E-10 mmHg at 25°C.
Preparation: this chemical can be prepared by bis-(2-nitro-phenyl)-sulfane. This reaction will need reagent oxone and solvents methanol, H2O with the reaction time of 12 hours. The yield is about 77%.
Uses of Benzene,1,1'-sulfinylbis[2-nitro- (9Cl): it can be used to produce bis-(2-nitro-phenyl) sulfone. It will need reagents 30 percent H2O2, trifluoroacetic acid with the reaction time of 12 hours. The yield is about 82%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(c1ccccc1[N+]([O-])=O)c2ccccc2[N+]([O-])=O
(2)Std. InChI: InChI=1S/C12H8N2O5S/c15-13(16)9-5-1-3-7-11(9)20(19)12-8-4-2-6-10(12)14(17)18/h1-8H
(3)Std. InChIKey: WCZWCGYJADVMJH-UHFFFAOYSA-N