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| CAS No.: | 597-35-3 |
|---|---|
| Name: | DIETHYL SULFONE |
| Article Data: | 88 |
| Molecular Structure: | |
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| Formula: | C4H10O2S |
| Molecular Weight: | 122.188 |
| Synonyms: | Ethylsulfone (6CI,7CI,8CI);Diethyl sulfone;NSC 145719; |
| EINECS: | 209-898-0 |
| Density: | 1.057 g/cm3 |
| Melting Point: | 73-74 °C |
| Boiling Point: | 245 °C at 760 mmHg |
| Flash Point: | 118.4 °C |
| Solubility: | 135g/L(16 oC) |
| Appearance: | white to slightly yellow crystalline powder |
| Safety: | 22-24/25 |
| PSA: | 42.52000 |
| LogP: | 1.52180 |
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Specification
The Ethane, 1, 1'-sulfonylbis-, with the CAS registry number of 597-35-3, is also known as (Ethylsulfonyl)ethane. Its EINECS registry number is 209-898-0. This chemical's molecular formula is C4H10O2S and molecular weight is 122.19. What's more, its IUPAC name is 1-Ethylsulfonylethane.In addition, the dust of Ethane, 1, 1'-sulfonylbis- can not be breathed. And you should avoid contacting with skin and eyes.
Physical properties about Ethane, 1, 1'-sulfonylbis- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.24; (8)ACD/KOC (pH 7.4): 20.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 29.37 cm3; (15)Molar Volume: 115.5 cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 1.057 g/cm3; (18)Flash Point: 118.4 °C; (19)Enthalpy of Vaporization: 46.25 kJ/mol; (20)Boiling Point: 245 °C at 760 mmHg; (21)Vapour Pressure: 0.046 mmHg at 25 °C.
Preparation: this chemical is prepared by Diethylsulfane. The reaction needs reagent m-Chloroperoxybenzoic acid and solvent CH2Cl2. The yield is about 64 %.
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Uses of Ethane, 1, 1'-sulfonylbis-: it is used to produce other chemicals. For example, it is used to produce 4-Methylpyridinium 1-[(ethoxycarbonylacetyl)[ethylthio(thiocarbonyl)]]methylide. The reaction needs reagent Triethylamine and solvent CHCl3. This reaction needs two steps, the reaction conditions are 1.) 1h, 20 °C; 2.) 12h, 20 °C. The yield is about 35 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(CC)CC
(2) InChI: InChI=1/C4H10O2S/c1-3-7(5,6)4-2/h3-4H2,1-2H3
(3) InChIKey: MBDUIEKYVPVZJH-UHFFFAOYAH