The Benzenesulfonylchloride, 3-bromo-, with the CAS registry number 2905-24-0, has the systematic name of 3-bromobenzenesulfonyl chloride. And the molecular formula of this chemical is C6H4BrClO4S. It is a kind of clear colorless to yellow liquid whcih is sensitive to moisture, and belongs to the following product categories: Benzenesulfonyl chloride; Miscellaneous; Aryl; Organohalides; Sulfonyl Chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds.
The physical properties of Benzenesulfonylchloride, 3-bromo- are as following: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 140.36; (6)ACD/BCF (pH 7.4): 140.36; (7)ACD/KOC (pH 5.5): 1198.41; (8)ACD/KOC (pH 7.4): 1198.41; (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: 1.591; (14)Molar Refractivity: 48.12 cm3; (15)Molar Volume: 142.2 cm3; (16)Polarizability: 19.07×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.795 g/cm3; (19)Flash Point: 143.4 °C; (20)Enthalpy of Vaporization: 53.25 kJ/mol; (21)Boiling Point: 313.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000909 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and 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).
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1cc(Br)ccc1
(2)InChI: InChI=1/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
(3)InChIKey: PJGOLCXVWIYXRQ-UHFFFAOYAE
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