BROMOMETHYL PHENYL SULFONE

The Benzene,[(bromomethyl)sulfonyl]-, with the CAS registry number 19169-90-5, is also known as Phenyl bromomethyl sulfone. It belongs to the product categories of Organic Building Blocks; Sulfones; Sulfur Compounds. This chemical's molecular formula is C₇H₇BrO₂S and molecular weight is 235.1. What's more, its systematic name is [(bromomethyl)sulfonyl]benzene. It should be sealed and stored in a cool and dry place.

Physical properties of Benzene,[(bromomethyl)sulfonyl]- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.52 Å²; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 47.92 cm³; (9)Molar Volume: 144.3 cm³; (10)Polarizability: 18.99×10^-24cm³; (11)Surface Tension: 46 dyne/cm; (12)Density: 1.628 g/cm³; (13)Flash Point: 166.3 °C; (14)Enthalpy of Vaporization: 57.25 kJ/mol; (15)Boiling Point: 351.3 °C at 760 mmHg; (16)Vapour Pressure: 8.38E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by bromomethyl-phenyl sulfone. This reaction will need reagent alkali and solvent H₂O. The yield is about 91%.

Uses of Benzene,[(bromomethyl)sulfonyl]-: it can be used to produce 3-nitrobenzhydryl phenyl sulfone at the ambient temperature. It will need reagents Bu₄NHSO₄, 50% NaOH and solvent acetonitrile with the reaction time of 1 hour. The yield is about 56%.

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 and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CBr
(2)InChI: InChI=1S/C7H7BrO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: SKIMEKUYIQHJQV-UHFFFAOYSA-N