Basic information
- Name:
1,3-Naphthalenedisulfonicacid, 7-hydroxy-, potassium salt (1:2)
- Superlist Name:
- Dipotassium 7-hydroxynaphthalene-1,3-disulphonate
- CAS No.:
842-18-2
- Molecular Structure:
- Formula:
- C10H6K2O7S2
- Molecular Weight:
- 380.45
- Synonyms:
- 1,3-Naphthalenedisulfonicacid, 7-hydroxy-, dipotassium salt (8CI,9CI);2-Naphthol-6,8-disulfonic aciddipotassium salt;Dipotassium 2-naphthol-6,8-disulfonate;
- EINECS:
- 212-672-4
- Appearance:
- Moist paste
- Safety Description:
- 24/25 Details
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Specification
The Dipotassium 7-hydroxynaphthalene-1,3-disulphonate, with CAS registry number 842-18-2, belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)Intermediates; (3)Organics. It has the systematic name of dipotassium 7-hydroxynaphthalene-1,3-disulfonate. When use this chemical, avoid contact with skin and eyes.
Physical properties of Dipotassium 7-hydroxynaphthalene-1,3-disulphonate:(1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.27; (4)ACD/LogD (pH 7.4): -4.31; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 134.73 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [K+].[K+].[O-]S(=O)(=O)c1c2c(cc(c1)S([O-])(=O)=O)ccc(O)c2
(2)InChI: InChI=1/C10H8O7S2.2K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
(3)InChIKey: LKDMVWRBMGEEGR-NUQVWONBAP
(4)Std. InChI: InChI=1S/C10H8O7S2.2K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
(5)Std. InChIKey: LKDMVWRBMGEEGR-UHFFFAOYSA-L