| CAS No. | 253594-68-2 |
| Molecular Formula | C7H5O4S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 208.16 g/mol gives Sodium 2H-1,3-benzodioxole-5-sulfinate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Sodium 2H-1,3-benzodioxole-5-sulfinate (CAS 253594-68-2), molecular formula C7H5O4SNa and molecular weight 208.16 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Sodium 2H-1,3-benzodioxole-5-sulfinate (C7H5O4SNa) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.5, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 208.16 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
| Molecular Formula | C7H5O4S Na |
| Molecular Weight | 208.16 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Sulfur Atoms | 1 |