sodium nonane-1-sulfonate

• ChemBase ID: 105203
• Molecular Formular: C9H19NaO3S
• Molecular Mass: 230.30013
• Monoisotopic Mass: 230.09525975
• SMILES: [Na+].CCCCCCCCCS(=O)(=O)[O-]
• Canonical SMILES: CCCCCCCCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C9H20O3S.Na/c1-2-3-4-5-6-7-8-9-13(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1
• InChIKey: RUYRDULZOKULPK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium nonane-1-sulfonate
• IUPAC Traditional name: sodium nonane-1-sulfonate; potassium nonane-1-sulfonate
• Synonyms: Sodium 1-nonanesulfonate; 1-Nonanesulfonic acid sodium salt; 1-NONANESULFONIC ACID; 1-壬烷磺酸 钠盐; 1-壬烷磺酸钠; 正壬烷磺酸钠

Database IDs

• CAS Number: 35192-74-6
• MDL Number: MFCD00025010
• Beilstein Number: 3738676
• PubChem SID: 162092091; 24897449; 24886681
• PubChem CID: 23664777

CALCULATED PROPERTIES

• Acid pKa: -0.5855428
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.36224368
• LogD (pH = 7.4): 0.36216027
• Log P: 2.738558
• Molar Refractivity: 52.4122 cm^3
• Polarizability: 21.831064 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); >300°C
• Absorption Wavelength: λ: 210 nm Amax: 0.05; λ: 220 nm Amax: 0.03; λ: 230 nm Amax: 0.02; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~98%; ≥97.0% (T); ≥99.0% (T); 97%; 98+%
• Grade: for ion pair chromatography; puriss.
• Suitability: corresponds to standard for filter test; corresponds to standard for RP gradient test
• Description: anionic
• λ: 5 % in H2O
• Linear Formula: CH3(CH2)8SO3Na

DETAILS

MP Biomedicals - 02159043

Sodium Salt
For ion-pair chromatography; used to separate histidines by HPLC.

Sigma Aldrich - N0893

包装
5, 25 g in glass bottle

Sigma Aldrich - 74316

Other Notes
Ion-pair reagent used in the separation of histidines by HPLC1
Packaging
10 g in glass bottle