ethane-1,2-disulfonic acid

• ChemBase ID: 127316
• Molecular Formular: C2H6O6S2
• Molecular Mass: 190.19544
• Monoisotopic Mass: 189.96057991
• SMILES: OS(=O)(=O)CCS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)CCS(=O)(=O)O
• InChI: InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)
• InChIKey: AFAXGSQYZLGZPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethane-1,2-disulfonic acid
• IUPAC Traditional name: ethanedisulfonic acid
• Synonyms: Edisylate; Ethanedisulfonic acid; 1,2-Ethanedisulfonic acid hydrate; 1,2-乙二磺酸水合物

Database IDs

• CAS Number: 110-04-3
• EC Number: 203-732-0
• MDL Number: MFCD00069901
• Merck Index: 143724
• PubChem SID: 162221637
• PubChem CID: 8032
• Chemspider ID: 7741
• Wikipedia Title: Ethanedisulfonic_acid

CALCULATED PROPERTIES

• Acid pKa: -2.1523328
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -6.54068
• LogD (pH = 7.4): -6.540691
• Log P: -1.7878937
• Molar Refractivity: 31.3416 cm^3
• Polarizability: 14.17553 Å^3
• Polar Surface Area: 108.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172-174 °C; 111-112 °C (dihydrate)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%