(E)-N-(2-Nitrophenyl)-1-{N'-[(3E)-6,6,6-trifluoro-5-oxohexan-3-ylidene]hydrazinecarbonyl}methanecarbohydrazonoyl cyanide CAS 477870-79-4
| CAS No. | 477870-79-4 |
| Molecular Formula | C15H13F3N6O4 |
| Molecular Weight | 398.30 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.
(E)-N-(2-Nitrophenyl)-1-{N'-[(3E)-6,6,6-trifluoro-5-oxohexan-3-ylidene]hydrazinecarbonyl}methanecarbohydrazonoyl cyanide (CAS 477870-79-4), molecular formula C15H13F3N6O4 and molecular weight 398.30 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H13F3N6O4, (E)-N-(2-Nitrophenyl)-1-{N'-[(3E)-6,6,6-trifluoro-5-oxohexan-3-ylidene]hydrazinecarbonyl}methanecarbohydrazonoyl cyanide contains a flavonoid 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 398.30 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.
As a certified reference material (CRM), (E)-N-(2-Nitrophenyl)-1-{N'-[(3E)-6,6,6-trifluoro-5-oxohexan-3-ylidene]hydrazinecarbonyl}methanecarbohydrazonoyl cyanide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C15H13F3N6O4 |
| Molecular Weight | 398.30 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
Recommended Standards
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- 1,4-Bis[4-(Trifluoromethyl)Phenoxy]Benzene (CAS 67525-36-4)
- 3-Methyltricosane (CAS 13410-45-2)
- N-(4-Bromobenzyl)-N-tosyl-D-alaninol (CAS 1420780-21-7)
- H-Dab(Boc)-OMe · HCl (CAS 3350-15-0)
- 6-Bromo-5-chloro-4-(difluoromethyl)nicotinaldehyde (CAS 1804656-31-2)
- 4-(Dimethylamino)-2-butyn-1-ol (CAS 14597-26-3)
- (4-Aminopiperidin-1-yl)(pyridin-3-yl)methanone dihydrochloride (CAS 1286264-95-6)
- 2-Cyanoacetic anhydride (CAS 70776-23-7)
- 1-(2-Methoxyethyl)-5-(3-methoxyphenyl)-1H-imidazol-2-amine (CAS 1083274-12-7)
- 6-(Aminomethyl)-3-propylbenzo[d]oxazol-2(3h)-one (CAS 1342612-81-0)
- Tavaborale Hydroxy Alcohol impurity (CAS 438049-37-7)
- 4-(4-Aminobutyl)phenol (CAS 22205-09-0)
- Semaglutide impurity 201 (CAS CATO-C4X-2226201)
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