Dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]-2-(2-propynyl)malonate CAS 900019-64-9
| CAS No. | 900019-64-9 |
| Molecular Formula | C15H12F3NO6 |
| Molecular Weight | 359.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 359.25 g/mol gives Dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]-2-(2-propynyl)malonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]-2-(2-propynyl)malonate (CAS 900019-64-9), molecular formula C15H12F3NO6 and molecular weight 359.25 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]-2-(2-propynyl)malonate (C15H12F3NO6) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]-2-(2-propynyl)malonate 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 | C15H12F3NO6 |
| Molecular Weight | 359.25 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 6,7-Dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine (CAS 1982372-88-2)
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- 4-Benzyl-2-(Iodomethyl)-2,6,6-Trimethylmorpholine (CAS 892871-64-6)
- N-(2,3-Dichlorophenyl)-2-{[(naphthalen-1-yl)methyl]amino}acetamide (CAS 303091-16-9)
- 1-(4-Chlorophenyl)-2-(3-Hydroxypiperidin-1-Yl)Ethan-1-One (CAS 1146080-72-9)
- N-Butyl-4-fluoro-N-(4-methyloxazol-2-yl)benzamide (CAS 57068-56-1)
- 2,6-Diamino-5-hydroxy-3-(phenylazo)pyridine (CAS 86271-56-9)
- 3-Methylsulfolane (CAS 872-93-5)
- 5-(3,5-Dimethoxyphenyl)pyrimidin-2-ol (CAS 1111108-67-8)
- 7-Phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CAS 950187-92-5)
- Methyl 3-methyl-2-butenoate (CAS 924-50-5)
- Istradefylline Impurity 7 (CAS CATO-C4X-10617)
- Aprepitant EP Impurity B (CAS 2206606-86-0)
- Peptide 434 (CAS CATO-CPTD788434)
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