3-FLUORO-4-METHYLBENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 3-fluoro-4-methyl-, with the CAS registry number 90260-13-2, is also known as 3-Fluoro-p-toluenesulphonyl chloride. It belongs to the product categories of Fluoro-contained benzenesulfonyl chloride series; Sulfonylhalide; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C₇H₆ClFO₂S and molecular weight is 208.64. What's more, its systematic name is 3-Fluoro-4-methylbenzenesulfonyl chloride. The product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. It should be protected from moisture, oxides and bases.

Physical properties of Benzenesulfonylchloride, 3-fluoro-4-methyl- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.06; (6)ACD/BCF (pH 7.4): 89.06; (7)ACD/KOC (pH 5.5): 865.38; (8)ACD/KOC (pH 7.4): 865.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 45.13 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 17.89×10^-24 cm³; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.423 g/cm³; (19)Flash Point: 110.2 °C; (20)Enthalpy of Vaporization: 47.61 kJ/mol; (21)Boiling Point: 258.6 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It causes burns to you. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, you should seek medical advice immediately. 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)Canonical SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)F
(2)InChI: InChI=1S/C7H6ClFO2S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4H,1H3
(3)InChIKey: YDUHIMCRFRIVFI-UHFFFAOYSA-N