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CAS 1257642-74-2

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1,10-Phenanthroline-3,8-disulfonic acid, 2,9-dimethyl-4,7-diphenyl-, sodium salt, hydrate (1:2:1)

Description:
1,10-Phenanthroline-3,8-disulfonic acid, 2,9-dimethyl-4,7-diphenyl-, sodium salt, hydrate (1:2:1) is a complex organic compound characterized by its phenanthroline backbone, which is a polycyclic aromatic structure known for its chelating properties. This compound features sulfonic acid groups that enhance its solubility in water and contribute to its acidic nature. The presence of sodium ions indicates that it is a salt, which typically enhances its stability and solubility in aqueous solutions. The dimethyl and diphenyl substitutions on the phenanthroline structure can influence its electronic properties and reactivity, making it useful in various applications, including as a chelating agent for metal ions in analytical chemistry. Additionally, the hydrate form suggests that it can incorporate water molecules into its crystalline structure, which may affect its physical properties such as melting point and solubility. Overall, this compound is notable for its potential applications in coordination chemistry and as a reagent in various chemical analyses.
Formula:C26H20N2O6S2·H2O·2Na
InChI:InChI=1S/C26H20N2O6S2.2Na.H2O/c1-15-25(35(29,30)31)21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)26(36(32,33)34)16(2)28-24(20)23(19)27-15;;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;;1H2
InChI key:InChIKey=BQHNRHAUQHHXMD-UHFFFAOYSA-N
SMILES:S(=O)(=O)(O)C1=C(C=2C(=C3C(=CC2)C(=C(S(=O)(=O)O)C(C)=N3)C4=CC=CC=C4)N=C1C)C5=CC=CC=C5.[Na].O
Synonyms:
  • 1,10-Phenanthroline-3,8-disulfonic acid, 2,9-dimethyl-4,7-diphenyl-, sodium salt, hydrate (1:2:1)
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