Naphthalene-2,7-disulfonic acid

The Naphthalene-2,7-disulfonic acid, with the cas registry number of 92-41-1, is also known as 2,7-Naphthalenedisulfonic acid. It belongs to the product categories of Intermediates of Dyes and Pigments. Its EINECS number is 202-154-6. This chemical's molecular formula is C₁₀H₈O₆S₂ and formula weight is 288.30. What's more, both its IUPAC name and systematic name are the same which is called Naphthalene-2,7-disulfonic acid.

Physical properties about this chemical are: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.55; (4)ACD/LogD (pH 7.4): -4.55; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 103.5 Å²; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 65 cm³; (15)Molar Volume: 169.1 cm³; (16)Surface Tension: 76.4 dyne/cm; (17)Density: 1.704 g/cm³.

Preparation: this chemical can be prepared by Naphthalene-2-sulfonic acid. This reaction will need reagent 98.5percent H₂SO₄ with the reaction temperature of 25℃. The yield is about 4%.

Uses of Naphthalene-2,7-disulfonic acid: it can be used to produce Naphthalene-2,7-disulfonyl chloride at temperature of 130 ℃. This reaction will need reagent PCl₅ with reaction time of 4 hours. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O;
(2)InChI: InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9/h1-6H,(H,11,12,13)(H,14,15,16);
(3)InChIKey: VILFVXYKHXVYAB-UHFFFAOYSA-N.