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| CAS No.: | 833-82-9 |
|---|---|
| Name: | (benzylsulfinyl)benzene |
| Article Data: | 271 |
| Molecular Structure: | |
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| Formula: | C13H12OS |
| Molecular Weight: | 216.2988 |
| Synonyms: | (Benzylsulfinyl)benzene;[(Phenylsulfinyl)methyl]benzene;Benzene, [(phenylmethyl)sulfinyl]-;Benzyl phenyl sulfoxide; |
| Density: | 1.21 g/cm3 |
| Boiling Point: | 396.5 °C at 760 mmHg |
| Flash Point: | 193.6 °C |
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Specification
This chemical is called Benzylsulfinylbenzene, and it can also be named as Benzyl phenyl sulfoxide. With the molecular formula of C13H12OS, its molecular weight is 216.2988. The CAS registry number of this chemical is 833-82-9.
Other characteristics of the Benzylsulfinylbenzene can be summarised as followings: (1)ACD/LogP: 4.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 36.28 Å2; (7)Index of Refraction: 1.653; (8)Molar Refractivity: 64.96 cm3; (9)Molar Volume: 177.4 cm3; (10)Polarizability: 25.75×10-24 cm3; (11)Surface Tension: 58.3 dyne/cm; (12)Density: 1.21 g/cm3; (13)Flash Point: 193.6 °C; (14)Enthalpy of Vaporization: 62.15 kJ/mol; (15)Boiling Point: 396.5 °C at 760 mmHg; (16)Vapour Pressure: 3.9E-06 mmHg at 25°C.
Production method of this chemical: The Benzylsulfinylbenzene could be obtained by the reactant of benzylsulfanyl-benzene. This reaction needs the reagents of PhIO and 3,5-disubstituted Cr(salen), and the solvent of CH2Cl2. The yield is 98 %. In addition, this reaction should be taken for 3 hours at the temperature of 20 °C.
Uses of this chemical: The phenylmethanesulfonyl-benzene could be obtained by the reactant of Benzylsulfinylbenzene. This reaction needs the reagents of tert-butyl hydroperoxide and Merck 10181 silica gel, and the solvent of CH2Cl2. The yield is 95 %. This reaction should be taken for 6 hours at the temperature of 25 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(c1ccccc1)Cc2ccccc2
2.InChI: InChI=1/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
3.InChIKey: FBPGAWABXWMRAR-UHFFFAOYAW