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Benzene,1-(ethenylsulfonyl)-4-methyl-

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Name

Benzene,1-(ethenylsulfonyl)-4-methyl-

EINECS N/A
CAS No. 5535-52-4 Density 1.145 g/cm3
PSA 42.52000 LogP 2.99300
Solubility N/A Melting Point 62-64°C
Formula C9H10O2S Boiling Point 324.1 °C at 760 mmHg
Molecular Weight 182.243 Flash Point 181.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5535-52-4 (P-TOLYL VINYL SULPHONE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

1-Methyl-4-(vinylsulfonyl)benzene;1-(Ethenylsulfonyl)-4-methylbenzene;4-Methylphenyl vinyl sulfone;p-Tolyl vinyl sulfone;p-Tosylethylene;Sulfone, p-tolyl vinyl;

Article Data 22

Benzene,1-(ethenylsulfonyl)-4-methyl- Specification

The Benzene,1-(ethenylsulfonyl)-4-methyl-, with the CAS registry number 5535-52-4, is also known as Sulfone, p-tolyl vinyl. This chemical's molecular formula is C9H10O2S and molecular weight is 182.24. What's more, its IUPAC name is 1-ethenylsulfonyl-4-methylbenzene.

Physical properties of Benzene,1-(ethenylsulfonyl)-4-methyl- are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.66; (5)ACD/BCF (pH 5.5): 10.75; (6)ACD/BCF (pH 7.4): 10.75; (7)ACD/KOC (pH 5.5): 190.51; (8)ACD/KOC (pH 7.4): 190.51; (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: 1.531; (14)Molar Refractivity: 49.21 cm3; (15)Molar Volume: 159 cm3; (16)Polarizability: 19.51×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.145 g/cm3; (19)Flash Point: 181.5 °C; (20)Enthalpy of Vaporization: 54.36 kJ/mol; (21)Boiling Point: 324.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000476 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(toluene-4-sulfonyl)-ethanol by heating. This reaction will need reagent Et3N and solvent CH2Cl2 with the reaction time of 24 hours. The yield is about 52%.

Benzene,1-(ethenylsulfonyl)-4-methyl- can be prepared by 2-(toluene-4-sulfonyl)-ethanol by heating

Uses of Benzene,1-(ethenylsulfonyl)-4-methyl-: it can be used to produce (1,2-dibromo-ethyl)-p-tolyl sulfone at the ambient temperature. It will need reagent bromine and solvent CCl4 with the reaction time of 24 hours. The yield is about 82%.

Benzene,1-(ethenylsulfonyl)-4-methyl- can be used to produce (1,2-dibromo-ethyl)-p-tolyl sulfone at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)\C=C
(2)Std. InChI: InChI=1S/C9H10O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
(3)Std. InChIKey: VZQFRPMWVXCURA-UHFFFAOYSA-N

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