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

  • Name Benzene,1-(ethenylsulfonyl)-4-methyl-
  • EINECSN/A
  • CAS No. 5535-52-4
  • Density1.145 g/cm3
  • PSA42.52000
  • LogP2.99300
  • SolubilityN/A
  • Melting Point62-64°C
  • FormulaC9H10O2S
  • Boiling Point324.1 °C at 760 mmHg
  • Molecular Weight182.243
  • Flash Point181.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 5535-52-4 (P-TOLYL VINYL SULPHONE)
  • Hazard SymbolsR36/37/38:Irritating to eyes, respiratory system and skin.;
  • SynonymsR36/37/38:Irritating to eyes, respiratory system and skin.;
  • Article Data22

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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