2-[2,5-Dimethyl-1-(3-nitrobenzoyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]ethyl 3-nitrobenzoate CAS 860611-56-9
| CAS No. | 860611-56-9 |
| Molecular Formula | C21H18N4O8 |
| Molecular Weight | 454.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-[2,5-Dimethyl-1-(3-nitrobenzoyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]ethyl 3-nitrobenzoate (C21H18N4O8) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 454.39 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-[2,5-Dimethyl-1-(3-nitrobenzoyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]ethyl 3-nitrobenzoate (CAS 860611-56-9), molecular formula C21H18N4O8 and molecular weight 454.39 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C21H18N4O8 |
| Molecular Weight | 454.39 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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 |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- 1-(5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazole-3-carboxylic acid (CAS 1708013-81-3)
- Ethyl 2-bromo-3-oxopentanoate (CAS 87943-99-5)
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- 6-Iodo-5-methoxypicolinaldehyde (CAS 154497-86-6)
- 1-(4-Chlorophenyl)-3-(2-methoxyphenyl)propan-1-one (CAS 898769-91-0)
- Calcineurin Autoinhibitory Peptide (CAS 148067-21-4)
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