(2E)-2-Cyano-3-(dimethylamino)-N'-[(3E)-6,6,6-trifluoro-5-oxohexan-3-ylidene]prop-2-enehydrazide CAS 478063-93-3
| CAS No. | 478063-93-3 |
| Molecular Formula | C12H15F3N4O2 |
| Molecular Weight | 304.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 304.27 g/mol gives (2E)-2-Cyano-3-(dimethylamino)-N'-[(3E)-6,6,6-trifluoro-5-oxohexan-3-ylidene]prop-2-enehydrazide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (2E)-2-Cyano-3-(dimethylamino)-N'-[(3E)-6,6,6-trifluoro-5-oxohexan-3-ylidene]prop-2-enehydrazide (CAS 478063-93-3), a certified reference material (molecular formula C12H15F3N4O2, MW 304.27 g/mol) for analytical method development and quality control.
(2E)-2-Cyano-3-(dimethylamino)-N'-[(3E)-6,6,6-trifluoro-5-oxohexan-3-ylidene]prop-2-enehydrazide (C12H15F3N4O2) contains a nitrogen-containing heterocyclic scaffold, an amide 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C12H15F3N4O2 |
| Molecular Weight | 304.27 g/mol |
| Appearance | Off-white to pale 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) | 6.0 |
| 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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Recommended Standards
- (2E)-2-[(E)-1-Methyl-1H-pyrrole-2-carbonyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile (CAS 900019-54-7)
- (3aS,8aR)-2-(5-(Trifluoromethyl)pyridin-2-yl)-8,8a-dihydro-3aH-indeno[1,2-d]oxazole (CAS 2757082-23-6)
- (1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazol-4-yl)methanol (CAS 618444-42-1)
- (R,S)-4-CF3-Pyox-In (CAS 2126903-00-0)
- (2S,4R)-4-((tert-Butoxycarbonyl)amino)-5-(4-hydroxy-3-nitrophenyl)-2-methylpentanoic acid (CAS 2361404-24-0)
- (1R,2R)-N1,N1-dimethylcyclohexane-1,2-diamine dihydrochloride (CAS 1263285-80-8)
- spiro[3.4]octan-3-one (CAS 37609-31-7)
- Methyl 6-formyl-4-hydroxypicolinate (CAS 1393575-55-7)
- 1-Chloro-3-fluoro-2-methoxy-4-methylbenzene (CAS 261762-80-5)
- (R)-3,3'-Bis(2,4,6-trimethylphenyl)-[1,1'-binaphthalene]-2,2'-diol (CAS 394737-30-5)
- 6-Bromotetrazolo[1,5-a]pyridine (CAS 35235-74-6)
- N-(6-Methoxypyridin-3-yl)-2-methylbenzenesulfonamide (CAS 680591-13-3)
- trans-Propan-2-yl -1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate (CAS 2055840-96-3)
- Tirzepatide Impurity 38 (CAS CATO-C4X-324038)
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