4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide CAS 900019-59-2
| CAS No. | 900019-59-2 |
| Molecular Formula | C16H21F3N4O2S |
| Molecular Weight | 390.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide (CAS 900019-59-2), molecular formula C16H21F3N4O2S and molecular weight 390.42 g/mol, is a CATO reference standard with documented purity and traceability.
4-[2-Nitro-4-(trifluoromethyl)phenyl]-N-propyl-1,4-diazepane-1-carbothioamide (C16H21F3N4O2S) contains a nitrogen-containing heterocyclic scaffold, 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).
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 | C16H21F3N4O2S |
| Molecular Weight | 390.42 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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- Semaglutide (CAS 910463-68-2)
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