2-[3-{[(2-chloro-6-fluorobenzyl)oxy]imino}-1-(dimethylamino)propylidene]malononitrile CAS 338773-71-0
| CAS No. | 338773-71-0 |
| Molecular Formula | C15H14ClFN4O |
| Molecular Weight | 320.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 2-[3-{[(2-chloro-6-fluorobenzyl)oxy]imino}-1-(dimethylamino)propylidene]malononitrile (CAS 338773-71-0), a certified reference material (molecular formula C15H14ClFN4O, MW 320.75 g/mol) for analytical method development and quality control.
Structurally, 2-[3-{[(2-chloro-6-fluorobenzyl)oxy]imino}-1-(dimethylamino)propylidene]malononitrile (C15H14ClFN4O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 320.75 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C15H14ClFN4O |
| Molecular Weight | 320.75 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
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