disodium naphthalene-1,5-disulfonate

• ChemBase ID: 90213
• Molecular Formular: C10H6Na2O6S2
• Molecular Mass: 332.26058
• Monoisotopic Mass: 331.94011847
• SMILES: S(=O)(=O)(c1cccc2c(cccc12)S(=O)(=O)[O-])[O-].[Na+].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)[O-].[Na+].[Na+]
• 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
• InChIKey: YGSZNSDQUQYJCY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium naphthalene-1,5-disulfonate
• IUPAC Traditional name: disodium 1,5-naphthalenedisulfonate; dipotassium 1,5-naphthalenedisulfonate
• Synonyms: 1,5-Naphthalenedisulfonic acid disodium salt hydrate; Naphthalene-1,5-disulphonic acid disodium salt; Disodium naphthalene-1,5-disulphonate; 1,5-Naphthalenedisulfonic acid disodium salt; Sodium 1,5-naphthalenedisulfonate dibasic; 1,5-NAPHTHALENEDISULFONIC ACID SODIUM SALT TECHNICAL GRADE; disodium 1,5-Naphthalenedisulfonate; 1,5-萘二磺酸 二钠盐 水合物; 1,5-萘二磺酸 二钠盐; 1,5-萘二磺酸钠盐

Database IDs

• CAS Number: 207569-02-6; 1655-29-4
• EC Number: 216-732-0
• MDL Number: MFCD00064178
• Beilstein Number: 3642373
• PubChem SID: 162077051; 24886002; 24855078
• PubChem CID: 74248

CALCULATED PROPERTIES

• Acid pKa: -2.7168899
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.4282577
• LogD (pH = 7.4): -3.4282615
• Log P: 1.324536
• Molar Refractivity: 61.5098 cm^3
• Polarizability: 26.890236 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~85% (T); 95%; 97%
• Grade: TECHNICAL; technical
• Linear Formula: C10H6(SO3Na)2 · xH2O
• Empirical Formula (Hill Notation): C10H6Na2O6S2

DETAILS

MP Biomedicals - 05214503

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 70240

Packaging
1 kg in poly bottle
250 g in poly bottle

Sigma Aldrich - 250899

Other Notes
Contains sodium chloride
Packaging
1 kg in poly bottle
250 g in poly bottle
5 g in glass bottle