2,6-DICHLORO-4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 2,6-dichloro-4-(trifluoromethyl)-, with the CAS registry number 175205-76-2, has the systematic name of 2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride. It is a kind of moisture sensitive chemical, and belongs to the following product categories: Phenyls & Phenyl-Het; Sulphonyl Chlorides; Benzenesulfonyl chloride; API intermediates; Phenyls & Phenyl-Het; Sulphonyl Chlorides; Benzenes. And the molecular formula of the chemical is C₇H₂Cl₃F₃O₂S.

The characteristics of Benzenesulfonylchloride, 2,6-dichloro-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.07; (5)ACD/BCF (pH 5.5): 727.71; (6)ACD/BCF (pH 7.4): 727.71; (7)ACD/KOC (pH 5.5): 3892.17; (8)ACD/KOC (pH 7.4): 3892.17; (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: 1.511; (14)Molar Refractivity: 55.04 cm³; (15)Molar Volume: 183.5 cm³; (16)Polarizability: 21.82×10^-24cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.708 g/cm³; (19)Flash Point: 133.7 °C; (20)Enthalpy of Vaporization: 51.59 kJ/mol; (21)Boiling Point: 297.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00238 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(Cl)(=O)c1c(Cl)cc(cc1Cl)C(F)(F)F
(2)InChI: InChI=1/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H
(3)InChIKey: MRGIKDMKHORAMU-UHFFFAOYAT