sodium methanesulfonate

• ChemBase ID: 151238
• Molecular Formular: CH3NaO3S
• Molecular Mass: 118.08749
• Monoisotopic Mass: 117.97005924
• SMILES: CS(=O)(=O)[O-].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)C.[Na+]
• InChI: InChI=1S/CH4O3S.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
• InChIKey: KKVTYAVXTDIPAP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium methanesulfonate
• IUPAC Traditional name: sodium mesylate
• Synonyms: Methanesulfonic acid sodium salt; Sodium methanesulfonate; 甲烷磺酸 钠盐; 甲基磺酸钠; 甲烷磺酸钠

Database IDs

• CAS Number: 2386-57-4
• EC Number: 219-203-2
• MDL Number: MFCD00064389
• Beilstein Number: 3915209
• PubChem SID: 24858375; 24883231; 162245394
• PubChem CID: 638112

CALCULATED PROPERTIES

• Acid pKa: -1.6106497
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.3367643
• LogD (pH = 7.4): -3.3367722
• Log P: -0.9603736
• Molar Refractivity: 15.4098 cm^3
• Polarizability: 7.302348 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (T); 98%
• Grade: purum
• Impurities: ≤0.5% water
• Linear Formula: CH3SO3Na

DETAILS

Sigma Aldrich - 304506

Packaging
5, 100, 500 g in glass bottle