disodium naphthalene-2,6-disulfonate

• ChemBase ID: 85584
• Molecular Formular: C10H6Na2O6S2
• Molecular Mass: 332.26058
• Monoisotopic Mass: 331.94011847
• SMILES: S(=O)(=O)(c1cc2ccc(cc2cc1)S(=O)(=O)[O-])[O-].[Na+].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)c1ccc2c(c1)ccc(c2)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
• InChIKey: WZZLWPIYWZEJOX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium naphthalene-2,6-disulfonate
• IUPAC Traditional name: dipotassium 2,6-naphthalenedisulfonate; disodium 2,6-naphthalenedisulfonate
• Synonyms: 2,6-NAPHTHALENEDISULFONIC ACID SODIUM SALT TECHNICAL GRADE; 2,6-Naphthalenedisulfonic acid disodium salt; Disodium naphthalene-2,6-disulphonate, 20% aqueous solution; Naphthalene-2,6-disulphonic acid disodium salt, 20% aqueous solution; Disodium naphthalene-2,6-disulphonate; Naphthalene-2,6-disulphonic acid disodium salt; Sodium naphthalene-2,6-disulfonate; 2,6-萘二磺酸 二钠盐

Database IDs

• CAS Number: 1655-45-4
• EC Number: 216-735-7
• MDL Number: MFCD00004092
• PubChem SID: 162072700; 24897765
• PubChem CID: 3014027

CALCULATED PROPERTIES

• Acid pKa: -2.768554
• 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: 26.88468 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3

Product Information

• Purity: 95+%; 97%
• Grade: TECHNICAL
• Linear Formula: C10H6(SO3Na)2

DETAILS

MP Biomedicals - 05209428

MP Biomedicals Rare Chemical collection

Sigma Aldrich - N605

Other Notes
Remainder inorganic salts
Packaging
100 g in poly bottle
5 g in glass bottle