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| CAS No.: | 525-37-1 |
|---|---|
| Name: | 1,6-Naphthalenedisulfonic acid |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C10H6Na2O6S2 |
| Molecular Weight: | 288.302 |
| Synonyms: | Naphthalene-1,6-disulfonic acid; |
| Density: | 1.704g/cm3 |
| Melting Point: | 125°C (rough estimate) |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| PSA: | 125.50000 |
| LogP: | 3.49480 |
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Specification
The 1,6-Naphthalenedisulfonic acid, disodium salt, with the CAS registry number 525-37-1, is also known as Naphthalene-1,6-disulfonic acid. This chemical's molecular formula is C10H8O6S2 and molecular weight is 288.2969.
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: 103.5Å2; (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 of 1,6-Naphthalenedisulfonic acid, disodium salt: this chemical can be prepared by Naphthalene-2-sulfonic acid.
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This reaction needs reagent 98.5percent H2SO4 at tempreture of 25 ℃. The yield is 4%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1cccc2c1ccc(c2)S(=O)(=O)O
(2) InChI: InChI=1/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
(3) InChIKey: HEWDOWUUTBCVJP-UHFFFAOYAW