1-Naphthol-5-sulfonic acid

The 1-Naphthol-5-sulfonic acid, with the CAS registry number 117-59-9, is also known as 1-Hydroxy-5-naphthalenesulfonicacid. It belongs to the product category of Intermediates of Dyes and Pigments. Its EINECS number is 204-199-7. This chemical's molecular formula is C₁₀H₈O₄S and molecular weight is 224.23. What's more, its systematic name is 5-Hydroxy-1-naphthalenesulfonic acid. This chemical should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from heat and moisture. It is used to prepare dyes and organic pigments, and it is also used to prepare sensitiser 215 of photoresist. The product is the intermediate of the direct dyes and organic pigments.

Physical properties of 1-Naphthol-5-sulfonic acid are: (1)ACD/LogP: -0.007; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.50; (4)ACD/LogD (pH 7.4): -3.52; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 82.98 Å²; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 56.188 cm³; (15)Molar Volume: 144.756 cm³; (16)Polarizability: 22.275×10^-24cm³; (17)Surface Tension: 71.13 dyne/cm; (18)Density: 1.549 g/cm³.

Preparation: it is a method of addition. Lauren acid (1-amino-5-naphthalene acid) as raw material has an addition reaction with sodium hydrogensulfite aqueous solution in the presence of hydrochloric acid, then the product is got by hydrolysis, acidification and pressure filtration.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc2c1cccc2O
(2)Std. InChI: InChI=1S/C10H8O4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6,11H,(H,12,13,14)
(3)Std. InChIKey: YLKCHWCYYNKADS-UHFFFAOYSA-N