Sodium 3-(1-methyl-2-(3-(1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-ylidene)prop-1-en-1-yl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-3-ium-3-yl)propane-1-sulfonate CAS 63815-86-1
| CAS No. | 63815-86-1 |
| Molecular Formula | C27H27F6N4O6S2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Sodium 3-(1-methyl-2-(3-(1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-ylidene)prop-1-en-1-yl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-3-ium-3-yl)propane-1-sulfonate (C27H27F6N4O6S2Na) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Sodium 3-(1-methyl-2-(3-(1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-ylidene)prop-1-en-1-yl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-3-ium-3-yl)propane-1-sulfonate (CAS 63815-86-1), molecular formula C27H27F6N4O6S2Na and molecular weight 704.63 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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.
Physical & Chemical Properties
| Molecular Formula | C27H27F6N4O6S2 Na |
| Molecular Weight | 704.63 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 13.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
Recommended Standards
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