4-BROMOBENZENESULPHONIC ACID

The 4-Bromobenzenesulfonicacidhydrate is an organic compound with the formula C₆H₅BrO₃S. The systematic name of this chemical is 4-bromobenzenesulfonic acid. With the CAS registry number 79326-93-5, it is also named as p-Bromobenzenesulfonic acid. The product's categories are Organic Building Blocks; Sulfonic/Sulfinic Acids; Sulfur Compounds.

Physical properties about 4-Bromobenzenesulfonicacidhydrate are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 51.75 Å²; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 44.82 cm³; (14)Molar Volume: 128.3 cm³; (15)Polarizability: 17.76×10^-24cm³; (16)Surface Tension: 56 dyne/cm; (17)Density: 1.846 g/cm³.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust. In case of contact 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 the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(Br)cc1
(2)InChI: InChI=1/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
(3)InChIKey: PXACTUVBBMDKRW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
(5)Std. InChIKey: PXACTUVBBMDKRW-UHFFFAOYSA-N