2-CHLORO-4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 2-chloro-4-(trifluoromethyl)-, with the CAS registry number 175205-54-6, has the systematic name of 2-chloro-4-(trifluoromethyl)benzenesulfonyl chloride. It is a kind of moisture sensitive chemical, and belongs to the following product categories: Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. And the molecular formula of the chemical is C₇H₃Cl₂F₃O₂S.

The characteristics of Benzenesulfonylchloride, 2-chloro-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 272.69; (6)ACD/BCF (pH 7.4): 272.69; (7)ACD/KOC (pH 5.5): 1927.78; (8)ACD/KOC (pH 7.4): 1927.78; (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: 1.497; (14)Molar Refractivity: 50.21 cm³; (15)Molar Volume: 171.5 cm³; (16)Polarizability: 19.9×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.626 g/cm³; (19)Flash Point: 120.8 °C; (20)Enthalpy of Vaporization: 49.4 kJ/mol; (21)Boiling Point: 276.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00819 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It may cause sensitization by skin contact, and may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If 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)c1ccc(cc1Cl)C(F)(F)F
(2)InChI: InChI=1/C7H3Cl2F3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
(3)InChIKey: NJXDBSSSDPOAFI-UHFFFAOYAH