Naphthalene-2-sulfonic acid

The Naphthalene-2-sulfonic acid, with the CAS registry number 120-18-3, is also known as Kyselina 2-naftalensulfonova. It belongs to the product categories of Intermediates of Dyes and Pigments; Organic Building Blocks; Sulfonic/Sulfinic Acids; Sulfur Compounds. Its EINECS number is 204-375-3. This chemical's molecular formula is C₁₀H₈O₃S and molecular weight is 208.23. What's more, its systematic name is 2-Naphthalenesulfonic acid. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from heat, fire and oxides. It is used in the production of naphthol and intermediates.

Physical properties of Naphthalene-2-sulfonic acid are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.86 ; (4)ACD/LogD (pH 7.4): -2.87; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.75 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 54.66 cm³; (15)Molar Volume: 146.326 cm³; (16)Polarizability: 21.669×10^-24cm³; (17)Surface Tension: 58.79 dyne/cm; (18)Density: 1.423 g/cm³.

Preparation of Naphthalene-2-sulfonic acid: this chemical can be prepared by sulfonating naphthalene at the temperature of 160-166 °C. This reaction will need naphthalene as raw material, 98% sulfuric acid as sulfonating agent.

Uses of Naphthalene-2-sulfonic acid: it can be used to produce naphthalene-2-sulfonyl fluoride at the temperature of 25 °C. It will need reagent 1,1,2,2-tetrafluoroethyl-N,N-dimethylamine and solvent CHCl₃ with the reaction time of 6 hours. The yield is about 99%.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It can cause severe burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must 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)c2ccc1c(cccc1)c2
(2)Std. InChI: InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
(3)Std. InChIKey: KVBGVZZKJNLNJU-UHFFFAOYSA-N

The toxicity data is as follows: