| CAS No. | 1175992-94-5 |
| Molecular Formula | - |
| Molecular Weight | 218.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
1-(Methyl)-4-nitro-3-(2,2,3,3,3-D5-propyl)-1H-pyrazole-5-carboxylic Acid (CAS 1175992-94-5), molecular formula C8H6D5N3O4 and molecular weight 218.22 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(Methyl)-4-nitro-3-(2,2,3,3,3-D5-propyl)-1H-pyrazole-5-carboxylic Acid (C8H6D5N3O4) is characterized by deuterium isotope labeling, an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
| Molecular Formula | C8H6D5N3O4 |
| Molecular Weight | 218.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 3 |