2,6-dinonylnaphthalene-1,5-disulfonic acid

• ChemBase ID: 146839
• Molecular Formular: C28H44O6S2
• Molecular Mass: 540.77536
• Monoisotopic Mass: 540.25793113
• SMILES: CCCCCCCCCc1ccc2c(c1S(=O)(=O)O)ccc(c2S(=O)(=O)O)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCc1ccc2c(c1S(=O)(=O)O)ccc(c2S(=O)(=O)O)CCCCCCCCC
• InChI: InChI=1S/C28H44O6S2/c1-3-5-7-9-11-13-15-17-23-19-21-26-25(27(23)35(29,30)31)22-20-24(28(26)36(32,33)34)18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3,(H,29,30,31)(H,32,33,34)
• InChIKey: KVOYCYJHAKSFSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dinonylnaphthalene-1,5-disulfonic acid
• IUPAC Traditional name: 2,6-dinonylnaphthalene-1,5-disulfonic acid
• Synonyms: DNNDSA; Dinonylnaphthalenedisulfonic acid solution; 二壬基萘二磺酸 溶液

Database IDs

• CAS Number: 60223-95-2
• MDL Number: MFCD02094639
• PubChem SID: 162241031
• PubChem CID: 57358299

CALCULATED PROPERTIES

• Acid pKa: -2.1083126
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 4.7116933
• LogD (pH = 7.4): 4.71168
• Log P: 9.464478
• Molar Refractivity: 147.4516 cm^3
• Polarizability: 59.974365 Å^3
• Polar Surface Area: 108.74 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: alcohols, glycol ethers, glycols, esters, ketones, aromatic and aliphatic hydrocarbons: soluble; H2O: insoluble
• Boiling Point: 101 °C
• Flash Point: 114.8 °F; 46 °C
• Density: 0.98 g/mL at 25 °C
• Refractive Index: n20/D 1.476

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-37/38-41-67
• Safety Statements: 26-39
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H315-H318-H335 + H336
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• RID/ADR: UN 2924 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Concentration: 55 wt. % in isobutanol
• Linear Formula: (C9H19)2C10H4(SO3H)2

DETAILS

Sigma Aldrich - 522988

Packaging
100 mL in glass bottle
Application
Dopant for conducting polymers hydrophobic acid catalyst for amino cross-linked coatings