disodium naphthalene-2,7-disulfonate

• ChemBase ID: 85610
• Molecular Formular: C10H6Na2O6S2
• Molecular Mass: 332.26058
• Monoisotopic Mass: 331.94011847
• SMILES: S(=O)(=O)(c1cc2cc(ccc2cc1)S(=O)(=O)[O-])[O-].[Na+].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)c1ccc2c(c1)cc(cc2)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C10H8O6S2.2Na/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);;/q;2*+1/p-2
• InChIKey: XOIWXJSPLXGSLZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium naphthalene-2,7-disulfonate
• IUPAC Traditional name: disodium 2,7-naphthalenedisulfonate; disodium naphthalene-2,7-disulfonate
• Synonyms: Disodium naphthalene-2,7-disulphonate, 20% aqueous solution; Naphthalene-2,7-disulphonic acid disodium salt, 20% aqueous solution; Disodium naphthalene-2,7-disulphonate; Naphthalene-2,7-disulphonic acid disodium salt; Sodium naphthalene-2,7-disulfonate

Database IDs

• CAS Number: 1655-35-2
• MDL Number: MFCD00066365
• PubChem SID: 162072726
• PubChem CID: 74249

CALCULATED PROPERTIES

• Acid pKa: -2.7689772
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.4282582
• LogD (pH = 7.4): -3.4282615
• Log P: 1.324536
• Molar Refractivity: 61.5098 cm^3
• Polarizability: 26.884678 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%