3-CHLORO-2-METHYLBENZENESULFONYL CHLORIDE

The CAS register number of Benzenesulfonylchloride, 3-chloro-2-methyl- is 80563-86-6. It also can be called as 3-Chloro-2-Methyl-Benzenesulfonyl Chloride and the IUPAC name about this chemical is 3-chloro-2-methylbenzenesulfonyl chloride. The molecular formula about this chemical is C₇H₆Cl₂O₂S and molecular weight is 225.09. It belongs to the following product categories which include Sulfonylhalide; Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds and so on.

Physical properties about Benzenesulfonylchloride, 3-chloro-2-methyl- are: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 3.41; (3)ACD/LogD (pH 7.4): 3.41; (4)ACD/BCF (pH 5.5): 230.49; (5)ACD/BCF (pH 7.4): 230.49; (6)ACD/KOC (pH 5.5): 1709.19; (7)ACD/KOC (pH 7.4): 1709.19; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.52Ų; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 49.85 cm³; (13)Molar Volume: 154.3 cm³; (14)Polarizability: 19.76x10^-24cm³; (15)Surface Tension: 44 dyne/cm; (16)Enthalpy of Vaporization: 53.15 kJ/mol; (17)Boiling Point: 312.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000963 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(c1C)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
(3)InChIKey: ZSIYKAQPQRTBPF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
(5)Std. InChIKey: ZSIYKAQPQRTBPF-UHFFFAOYSA-N