2-CHLORO-4-CYANOBENZENESULFONYL CHLORIDE

This chemical is called Benzenesulfonylchloride, 2-chloro-4-cyano-, and its systematic name is 2-chloro-4-cyanobenzenesulfonyl chloride. With the CAS registry number of 254749-11-6, its product categories are Benzenesulfonyl Chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides, water and alkali.

Other characteristics of the Benzenesulfonylchloride, 2-chloro-4-cyano- can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.66; (6)ACD/BCF (pH 7.4): 35.66; (7)ACD/KOC (pH 5.5): 449.44; (8)ACD/KOC (pH 7.4): 449.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.31 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 49.79 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 19.74×10^-24cm³; (17)Surface Tension: 66.5 dyne/cm; (18)Density: 1.65 g/cm³; (19)Flash Point: 164.8 °C; (20)Enthalpy of Vaporization: 59.33 kJ/mol; (21)Boiling Point: 348.9 °C at 760 mmHg; (22)Vapour Pressure: 4.89E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns and may cause sensitization by skin contacting. You should wear suitable protective clothing if you use it. In case of contacting 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)c1ccc(C#N)cc1Cl
2.InChI: InChI=1/C7H3Cl2NO2S/c8-6-3-5(4-10)1-2-7(6)13(9,11)12/h1-3H
3.InChIKey: GNJOWOAPHOFJBW-UHFFFAOYAG