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Benzylsulfinylbenzene

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Name

Benzylsulfinylbenzene

EINECS N/A
CAS No. 833-82-9 Density 1.21 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C13H12OS Boiling Point 396.5 °C at 760 mmHg
Molecular Weight 216.2988 Flash Point 193.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 833-82-9 ((benzylsulfinyl)benzene) Hazard Symbols N/A
Synonyms

(Benzylsulfinyl)benzene;[(Phenylsulfinyl)methyl]benzene;Benzene, [(phenylmethyl)sulfinyl]-;Benzyl phenyl sulfoxide;

Article Data 271

Benzylsulfinylbenzene 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.

The Benzylsulfinylbenzene could be obtained by the reactant of benzylsulfanyl-benzene.

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.

The phenylmethanesulfonyl-benzene could be obtained by the reactant of Benzylsulfinylbenzene.

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

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