3,4-Dichloro-N-{3-cyano-4-[3-(trifluoromethyl)benzenesulfinyl]phenyl}benzamide CAS 477709-97-0
| CAS No. | 477709-97-0 |
| Molecular Formula | C21H11Cl2F3N2O2S |
| Molecular Weight | 483.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3,4-Dichloro-N-{3-cyano-4-[3-(trifluoromethyl)benzenesulfinyl]phenyl}benzamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3,4-Dichloro-N-{3-cyano-4-[3-(trifluoromethyl)benzenesulfinyl]phenyl}benzamide (CAS 477709-97-0), a certified reference material (molecular formula C21H11Cl2F3N2O2S, MW 483.29 g/mol) for analytical method development and quality control.
Structurally, 3,4-Dichloro-N-{3-cyano-4-[3-(trifluoromethyl)benzenesulfinyl]phenyl}benzamide (C21H11Cl2F3N2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 483.29 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C21H11Cl2F3N2O2S |
| Molecular Weight | 483.29 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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