2-[3-{[(2-chloro-4-fluorobenzyl)oxy]imino}-1-(dimethylamino)propylidene]malononitrile CAS 339102-92-0
| CAS No. | 339102-92-0 |
| Molecular Formula | C17H17F3N4O2 |
| Molecular Weight | 366.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-[3-{[(2-chloro-4-fluorobenzyl)oxy]imino}-1-(dimethylamino)propylidene]malononitrile (CAS 339102-92-0) is a high-purity analytical reference standard with the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol.
Based on its molecular formula C17H17F3N4O2, 2-[3-{[(2-chloro-4-fluorobenzyl)oxy]imino}-1-(dimethylamino)propylidene]malononitrile contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 366.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
Physical & Chemical Properties
| Molecular Formula | C17H17F3N4O2 |
| Molecular Weight | 366.34 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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