1-(Bromomethyl)-4-(methylsulfonyl)benzene

The Benzene,1-(bromomethyl)-4-(methylsulfonyl)-, with the CAS registry number 53606-06-7, is also known as ZINC02556296. It belongs to the product categories of Boron, Nitrile, Thio & TM-Cpds; Halides. This chemical's molecular formula is C₈H₉BrO₂S and molecular weight is 247.950663. Its IUPAC name is called 1-(bromomethyl)-4-methylsulfonylbenzene. This chemical is white to beige crystalline powder.

Physical properties of Benzene,1-(bromomethyl)-4-(methylsulfonyl)-: (1)ACD/LogP: 1.64; (2)ACD/LogD (pH 5.5): 1.638; (3)ACD/LogD (pH 7.4): 1.638; (4)ACD/BCF (pH 5.5): 10.355; (5)ACD/BCF (pH 7.4): 10.355; (6)ACD/KOC (pH 5.5): 185.464; (7)ACD/KOC (pH 7.4): 185.464; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 52.549 cm³; (13)Molar Volume: 160.703 cm³; (14)Surface Tension: 44.242 dyne/cm; (15)Density: 1.55 g/cm³; (16)Flash Point: 180.717 °C; (17)Enthalpy of Vaporization: 59.826 kJ/mol; (18)Boiling Point: 375.203 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methanesulfonyl-4-methyl-benzene. This reaction will need reagent N-bromosuccinimide, AIBN and various solvents. The reaction time is 1 hour with reaction temperature of 60-65 °C. The yield is about 77%.

Uses of Benzene,1-(bromomethyl)-4-(methylsulfonyl)-: it can be used to produce 3-[2-(4-methanesulfonyl-benzyloxy)-ethyl]-thiophene by heating. This reaction is a kind of Substitution. It will need reagent tert-BuOK and solvent tetrahydrofuran with reaction time of 4 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)CBr
(2)InChI: InChI=1S/C8H9BrO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
(3)InChIKey: HGKPAXHJTMHWAH-UHFFFAOYSA-N