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| CAS No.: | 620-32-6 |
|---|---|
| Name: | DIBENZYL SULFONE |
| Article Data: | 192 |
| Molecular Structure: | |
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| Formula: | C14H14O2S |
| Molecular Weight: | 246.33 |
| Synonyms: | Benzylsulfone (6CI,7CI,8CI);1,1'-[Sulfonylbis(methylene)]bis[benzene];Dibenzylsulfone;NSC 212545;NSC 67; |
| EINECS: | 210-636-2 |
| Density: | 1.207 g/cm3 |
| Melting Point: | 149-153 °C |
| Boiling Point: | 458.6 °C at 760 mmHg |
| Flash Point: | 292.9 °C |
| Appearance: | white fine crystalline powder |
| Safety: | 24/25-22 |
| PSA: | 42.52000 |
| LogP: | 3.88240 |
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Specification
The Dibenzyl sulphone, with the CAS registry number 620-32-6, is also known as Benzene, 1,1'-(sulfonylbis(methylene))bis-. Its EINECS registry number is 210-636-2. This chemical's molecular formula is C14H14O2S and molecular weight is 246.32. Its IUPAC name is called benzylsulfonylmethylbenzene. This chemical is white fine crystalline powder. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes. The product should be sealed and stored in cool, dry place. What's more, it should be protected from strong oxides.
Physical properties of Dibenzyl sulphone: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.66; (5)ACD/BCF (pH 7.4): 48.66; (6)ACD/KOC (pH 5.5): 561.43; (7)ACD/KOC (pH 7.4): 561.43; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 69.54 cm3; (12)Molar Volume: 203.9 cm3; (13)Surface Tension: 48.8 dyne/cm; (14)Density: 1.207 g/cm3; (15)Flash Point: 292.9 °C; (16)Enthalpy of Vaporization: 69.13 kJ/mol; (17)Boiling Point: 458.6 °C at 760 mmHg; (18)Vapour Pressure: 3.71E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by chloromethyl-benzene. This reaction will need reagent sodium formaldehyde sulphoxylate and solvent dimethylformamide. The reaction time is 24 hours with reaction temperature of 100 °C. The yield is about 36%.
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Uses of Dibenzyl sulphone: it can be used to produce 1,2-diphenyl-ethane. This reaction will need solvent benzene. The yield is about 55%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=CC=C2
(2)InChI: InChI=1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
(3)InChIKey: AWHNUHMUCGRKRA-UHFFFAOYSA-N