2-BROMO-4,6-DIFLUOROBENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 2-bromo-4, 6-difluoro-, with the CAS registry number of 351003-42-4, is also known as 2-Bromo-4, 6-difluorobenzenesulphonyl chloride. It belongs to the product categories of Aromatic Halides (substituted); Benzenesulfonyl Chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C₆H₂BrClF₂O₂S and molecular weight is 291.5. What's more, its systematic name is called 2-Bromo-4, 6-difluorobenzenesulfonyl chloride. In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place. Meanwhile, it should avoid contact with reductive or oxidative matter, high temperature, flame.

Physical properties about Benzenesulfonylchloride, 2-bromo-4, 6-difluoro- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.91; (6)ACD/BCF (pH 7.4): 61.91; (7)ACD/KOC (pH 5.5): 667.03; (8)ACD/KOC (pH 7.4): 667.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Ų; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 48.34 cm³; (15)Molar Volume: 150.6 cm³; (16)Polarizability: 19.16×10^-24 cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.934 g/cm³; (19)Flash Point: 132.9 °C; (20)Enthalpy of Vaporization: 51.44 kJ/mol; (21)Boiling Point: 296.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00259 mmHg at 25 °C; (23)Melting Point: 41-44 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. In addition, this chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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)c1c(F)cc(F)cc1Br
(2) InChI: InChI=1/C6H2BrClF2O2S/c7-4-1-3(9)2-5(10)6(4)13(8,11)12/h1-2H
(3) InChIKey: LBDIILUAEZRJMW-UHFFFAOYAQ