2-Sulfobenzoic acid

The IUPAC name of 2-Sulfobenzoic acid is 2-sulfobenzoic acid. With the CAS registry number 632-25-7, it is also named as Benzoic acid, 2-sulfo-. The product is white solid, which should be stored in closed containers in a cool, dry warehouse away from the corrosion area. In addition, its molecular formula is C₇H₆O₅S and molecular weight is 202.18.

The other characteristics of 2-Sulfobenzoic acid can be summarized as: (1)EINECS: 211-176-5; (2)ACD/LogP: 0.15; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -4.3; (5)ACD/LogD (pH 7.4): -4.35; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 5; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 78.05 Å²; (14)Index of Refraction: 1.612; (15)Molar Refractivity: 43.37 cm³; (16)Molar Volume: 124.7 cm³; (17)Polarizability: 17.19×10^-24cm³; (18)Surface Tension: 69.9 dyne/cm; (19)Density: 1.62 g/cm³; (20)Melting Point: 142 °C.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also harmful if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(O)c1ccccc1C(=O)O
(2)InChI: InChI=1/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
(3)InChIKey: ZMPRRFPMMJQXPP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
(5)Std. InChIKey: ZMPRRFPMMJQXPP-UHFFFAOYSA-N