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| CAS No.: | 92-41-1 |
|---|---|
| Name: | Naphthalene-2,7-disulfonic acid |
| Molecular Structure: | |
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| Formula: | C10H8O6S2 |
| Molecular Weight: | 288.302 |
| Synonyms: | 2,7-Disulfonaphthalene;NSC 65895;NSC 9589;Naphthalene-2,7-disulfonic acid; |
| EINECS: | 202-154-6 |
| Density: | 1.704 g/cm3 |
| Melting Point: | 80-84°C(lit.) |
| Boiling Point: | 400.53°C (rough estimate) |
| PSA: | 125.50000 |
| LogP: | 3.49480 |
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Specification
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%.
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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%.
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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.