4-[(E)-[(Thiophen-2-yl)methylidene]amino]phenyl 2,5-dichlorobenzene-1-sulfonate CAS 329778-39-4
| CAS No. | 329778-39-4 |
| Molecular Formula | C17H11Cl2NO3S2 |
| Molecular Weight | 412.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[(E)-[(Thiophen-2-yl)methylidene]amino]phenyl 2,5-dichlorobenzene-1-sulfonate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-[(E)-[(Thiophen-2-yl)methylidene]amino]phenyl 2,5-dichlorobenzene-1-sulfonate (CAS 329778-39-4), molecular formula C17H11Cl2NO3S2 and molecular weight 412.31 g/mol, is a CATO reference standard with documented purity and traceability.
4-[(E)-[(Thiophen-2-yl)methylidene]amino]phenyl 2,5-dichlorobenzene-1-sulfonate (C17H11Cl2NO3S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C17H11Cl2NO3S2 |
| Molecular Weight | 412.31 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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