Benzenesulfonamide,3-bromo- (89599-01-9)

The 3-Bromobenzenesulfonamide, with CAS registry number 89599-01-9, belongs to the following product categories: (1)blocks; (2)Bromides; (3)Sulfonamides; (4)Aryl; (5)Organohalides; (6)Organic Building Blocks; (7)Sulfonamides/Sulfinamides; (8)Sulfur Compounds. Its systematic name and its IUPAC name are the same, which is 3-bromobenzenesulfonamide. This chemical is a kind of white powder. And it should be stored in cool, dry place.

Physical properties of 3-Bromobenzenesulfonamide: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.23; (6)ACD/BCF (pH 7.4): 6.2; (7)ACD/KOC (pH 5.5): 128.85; (8)ACD/KOC (pH 7.4): 128.37; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.76 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 46.91 cm³; (15)Molar Volume: 134.5 cm³; (16)Polarizability: 18.59×10^-24cm³; (17)Surface Tension: 53.5 dyne/cm; (18)Enthalpy of Vaporization: 62.34 kJ/mol; (19)Vapour Pressure: 7.57E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(=O)(c1cc(Br)ccc1)N
(2)InChI: InChI=1/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
(3)InChIKey: MUBJNMWVQGHHLG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H6BrNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
(5)Std. InChIKey: MUBJNMWVQGHHLG-UHFFFAOYSA-N