disodium ethane-1,2-disulfonate

• ChemBase ID: 107436
• Molecular Formular: C2H4Na2O6S2
• Molecular Mass: 234.1591
• Monoisotopic Mass: 233.92446841
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)CCS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)CCS(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C2H6O6S2.2Na/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);;/q;2*+1/p-2
• InChIKey: BJTHMUJCKBTCFR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium ethane-1,2-disulfonate
• IUPAC Traditional name: dipotassium ethane-1,2-disulfonate; disodium ethanedisulfonic acid
• Synonyms: 1,2-ETHANEDISULFONIC ACID, DISODIUM SALT; Sodium 1,2-ethanedisulfonate; 1,2-Ethanedisulfonic acid disodium salt; 1,2-Ethanedisulfonic acid disodium salt; Disodium 1,2-ethanedisulfonate; 1,2-乙烷二磺酸 二钠盐; 1,2-乙烷二磺酸二钠盐; 1,2-乙烷基二磺酸钠; 1,2-乙二磺酸二钠

Database IDs

• CAS Number: 5325-43-9
• EC Number: 226-198-0
• MDL Number: MFCD00024998
• Beilstein Number: 3920126
• Merck Index: 143724
• PubChem SID: 24845265; 24845264; 162093570; 24894464
• PubChem CID: 79220

CALCULATED PROPERTIES

• Acid pKa: -2.1523328
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -6.54068
• LogD (pH = 7.4): -6.540691
• Log P: -1.7878937
• Molar Refractivity: 29.0982 cm^3
• Polarizability: 13.935456 Å^3
• Polar Surface Area: 114.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Absorption Wavelength: λ: 210 nm Amax: ≤0.1; λ: 220 nm Amax: ≤0.06; λ: 230 nm Amax: ≤0.04; λ: 260 nm Amax: ≤0.02; λ: 500 nm Amax: ≤0.02

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98%; ≥98.0% (T); ≥99.0% (T); 99%
• Grade: for ion pair chromatography; purum
• Suitability: corresponds to standard for filter test; corresponds to standard for RP gradient test
• λ: 10 % in H2O
• Linear Formula: NaO3SCH2CH2SO3Na

DETAILS

MP Biomedicals - 05203729

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E2269

Application
用于制备"乙二磺酸盐"的化合物
包装
25 g in glass bottle

Sigma Aldrich - 02375

Application
Compound for preparation of "edisylate" salts

Sigma Aldrich - 02374

Application
Compound for preparation of "edisylate" salts