2,5-DIMETHYLBENZENESULFONYL CHLORIDE

The 2,5-Dimethylbenzenesulfonyl chloride is a kind of organic compounds which is also known as Benzenesulfonyl chloride, 2,5-dimethyl-. Both its systematic name and IUPAC name are the same which is called 2,5-dimethylbenzenesulfonyl chloride. Its cas registry number is 19040-62-1. And this chemical is sensitive to moisture.

The physical properties about this chemical are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.41; (6)ACD/BCF (pH 7.4): 95.41; (7)ACD/KOC (pH 5.5): 909.12; (8)ACD/KOC (pH 7.4): 909.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 49.64 cm³; (14)Molar Volume: 158.6 cm³ ; (15)Surface Tension: 39.9 dyne/cm; (16)Density: 1.29 g/cm³; (17)Flash Point: 132.7 °C; (18)Enthalpy of Vaporization: 51.41 kJ/mol; (19)Boiling Point: 295.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00264 mmHg at 25°C.

Preparation: this chemical can be made by 2,5-dimethyl-benzenesulfonic acid with reagents 2,4,6-trichloro-1,3,5-triazine, triethylamine and solvent Acetone. The reaction time is20 hours with 74% yield.

Uses of 2,5-Dimethylbenzenesulfonyl: it can be used to make bis-(2,5-dimethyl-phenyl)-disulfide with reagent NaBH2Se3 and solvent acetonitrile. The reaction time 4 is hours with 78% yield.

When you are using this chemical, please be cautious about it as the following:
Keep it away from sources of ignition for this chemical is flammable. It also causes burns. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(ccc1C)C;
(2)InChI: InChI=1/C8H9ClO2S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3;
(3)InChIKey: FZVZUIBYLZZOEW-UHFFFAOYAN