4-BROMO-3-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE

The Benzenesulfonylchloride, 4-bromo-3-(trifluoromethyl)-, with the CAS registry number of 351003-47-9, is also known as 4-Bromo-3-(trifluoromethyl)benzenesulphonyl chloride and 2, 2-Dimethyl-1, 2, 3, 4-tetrahydroquinoline. It belongs to the product categories of Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. This chemical's molecular formula is C₇H₃BrClF₃O₂S and molecular weight is 323.51. What's more, its IUPAC name is 4-Bromo-3-(trifluoromethyl)benzenesulfonyl chloride. In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place. Meanwhile, it should avoid contact with reductant, alkali, reactive metal, moisture, high temperature, flame.

Physical properties about are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 462.96; (6)ACD/BCF (pH 7.4): 462.96; (7)ACD/KOC (pH 5.5): 2815.77; (8)ACD/KOC (pH 7.4): 2815.77; (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: 1.516; (14)Molar Refractivity: 53.11 cm³; (15)Molar Volume: 175.7 cm³; (16)Polarizability: 21.05×10^-24 cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.84 g/cm³; (19)Flash Point: 129.5 °C; (20)Enthalpy of Vaporization: 50.87 kJ/mol; (21)Boiling Point: 290.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00358 mmHg at 25 °C; (23)Melting Point: 32-33 °C.

When you are using this chemical, please be cautious about it as the following:
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: FC(F)(F)c1cc(ccc1Br)S(Cl)(=O)=O
(2) InChI: InChI=1/C7H3BrClF3O2S/c8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-3H
(3) InChIKey: QCFIMBHKZZLZAE-UHFFFAOYAK