The 5-Fluoro-2-methylbenzenesulfonyl chloride , with cas registry number of 445-05-6, is clear colorless to yellow liquid. It belongs to the categories of Fluoro-contained benzenesulfonyl chloride series; Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. Both its systematic name and IUPAC name are called the same which is 5-fluoro-2-methylbenzenesulfonyl chloride .

Physical properties about this chemical 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) Surface Tension: 39.6 dyne/cm ; (17) Density: 1.423 g/cm³ ; (18) Flash Point: 114.7 °C ; (19) Enthalpy of Vaporization: 48.37 kJ/mol ; (20) Boiling Point: 266.1 °C at 760 mmHg ; (21) Vapour Pressure: 0.0145 mmHg at 25°C ; (22) Refractive index: n20/D 1.5355(lit.).

Uses of 5-Fluoro-2-methylbenzenesulfonyl chloride : this chemical is used to prepare other chemicals. For example, it can react with 1,3-dibutyl-3,7(9)-dihydro-purine-2,6-dione to give 1,3-dibutyl-7-(5-fluoro-2-methyl-benzenesulfonyl)-3,7-dihydro-purine-2,6-dione .

This reaction is a kind of sulfonylation. It needs reagents K₂CO₃, solvent Acetone . The reaction temperature is 23 ℃. And the reaction time is 30 min. The yield is 84%.

When you are using this chemical, please be cautious about it as the following:
This chemical is hazardous,so the first aid measures and others should be known. Such as: When on the skin: first,should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly, Get shoesmedical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's Inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: wash mouth out with water,and get medical aid immediately.

In addition, it is moisture sensitive, so you can't exposure to moist air or water. It is not compatible with strong bases, strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: oxides of sulfur, hydrogen fluoride gas, carbon monoxide.

You can still convert the following datas into molecular structure:
(1) SMILES:Fc1cc(c(cc1)C)S(Cl)(=O)=O;
(2) InChI:InChI=1/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3 ;
(3) InChIKey:NPEWBMJAUUSBLE-UHFFFAOYAR