2-Trifluoromethylbenzylsulfonyl chloride

The IUPAC name of 2-Trifluoromethylbenzylsulfonyl chloride is 2-(trifluoromethyl)benzenesulfonyl chloride. With the CAS registry number , it is also named as Benzenemethanesulfonylchloride, 2-(trifluoromethyl)-. The product's category is Fluorobenzene. In addition, its molecular formula is C₈H₆ClF₃O₂S and molecular weight is 258.65.

The other characteristics of 2-Trifluoromethylbenzylsulfonyl chloride can be summarized as: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 54.11; (6)ACD/BCF (pH 7.4): 54.11; (7)ACD/KOC (pH 5.5): 605.74; (8)ACD/KOC (pH 7.4): 605.74; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 50.02 cm³; (15)Molar Volume: 171.6 cm³; (16)Polarizability: 19.83×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.506 g/cm³; (19)Flash Point: 124 °C; (20)Enthalpy of Vaporization: 49.93 kJ/mol; (21)Boiling Point: 281.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00607 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it may cause burns. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1ccccc1CS(Cl)(=O)=O
(2)InChI: InChI=1/C8H6ClF3O2S/c9-15(13,14)5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
(3)InChIKey: RFFCAUGRAMHQSO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
(5)Std. InChIKey: RFFCAUGRAMHQSO-UHFFFAOYSA-N