InChI: | InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2 |
Specification: |
The 1,5-Naphthalenedisulfonicacid, sodium salt (1:2), with the cas registry number 1655-29-4, has its systematic name of disodium naphthalene-1,5-disulfonate. It product categories are including Intermediates of Dyes and Pigments. When store it, keep it at RT.
The characteristics of this chemical are as follows: (1)ACD/LogP: -0.05; (2)ACD/LogD (pH 5.5): -4.55; (3)ACD/LogD (pH 7.4): -4.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 125.5; (12)Exact Mass: 331.940119; (13)MonoIsotopic Mass: 331.940119; (14)Topological Polar Surface Area: 131; (15)Heavy Atom Count: 20; (16)Complexity: 423.
While dealing with this chemical, you should be very cautious. It is irritant and it may cause inflammation to the skin or other mucous membranes. Therefore, you should be careful. Do not breathe dust and avoid contacting with skin and eyes.
In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:[Na+].[Na+].[O-]S(=O)(=O)c1cccc2c1cccc2S([O-])(=O)=O
(2)InChI:InChI=1/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
(3)InChIKey:YGSZNSDQUQYJCY-NUQVWONBAJ
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