2-Amino-5-chloro-4-methylbenzenesulfonic acid (88-53-9)

The IUPAC name of this product is 2-amino-5-chloro-4-methylbenzenesulfonic acid. With the CAS registry number 88-53-9, it is also named as p-Toluenesulfonic acid, 2-amino-5-chloro-; Lake Red C Amine. It is white crystal which can be used as intermediates of dye golden red C. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.76; (4)ACD/LogD (pH 7.4): -1.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 50.17 cm³; (14)Molar Volume: 142.7 cm³; (15)Polarizability: 19.88×10^-24 cm³; (16)Surface Tension: 63.9 dyne/cm; (17)Rotatable Bond Count: 1; (18)Exact Mass: 220.991342; (19)MonoIsotopic Mass: 220.991342; (20)Topological Polar Surface Area: 88.8; (21)Heavy Atom Count: 13.

The 2-Amino-5-chloro-4-methylbenzenesulfonic acid can be obtained by 3-chloro-4-methyl acid. Using nitric acid to nitrify 3-chloro-4-methyl acid at 30 °C; After 3h reaction, using 100 °C saturated salt water salting out to get 2-nitro-5-chloro tosylate; Adding 2-nitro-5-chloro tosylate to the water, and adding acetic acid and iron, restored in the boiling conditions; Filtered iron, the filtrate was added hydrochloric acid to crystallize out 2-nitro-5-chloro tosylate.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1.SMILES: Clc1cc(c(N)cc1C)S(=O)(=O)O;
2.InChI: InChI=1/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12).