1-(Methyl)-4-nitro-3-(2,2,3,3,3-D5-propyl)-1H-pyrazole-5-carboxylic Acid CAS 1175992-94-5
| CAS No. | 1175992-94-5 |
| Molecular Formula | - |
| Molecular Weight | 218.22 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.
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.
Physical & Chemical Properties
| 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 |
Related Methyl Standards
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- 1-Ethyl-5-nitro-1H-indole-3-carbaldehyde (CAS 911701-07-0)
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Recommended Standards
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- 4-(3-Fluoro-4-methoxyphenyl)phenol (CAS 1136617-28-1)
- Diethyl 3-fluorocyclobutane-1,1-dicarboxylate (CAS 123812-76-0)
- 2,3-Dibromo-4-fluorophenylacetonitrile (CAS 1804419-07-5)
- (S)-5-oxo-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid (CAS 1153474-63-5)
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-iodobenzoic acid (CAS 2243521-46-0)
- 2-(3,4-Dichlorophenyl)pyrazol-3-amine (CAS 183583-73-5)
- Lithium hydrogen carbonate (CAS 5006-97-3)
- (6-Chloro-4-trifluoromethyl-pyridin-2-ylsulfanyl)-acetic acid [1-dimethylamino-meth-(E)-ylidene]-hydrazide (CAS 1858264-43-3)
- 1-Methoxy-4-(1-methylbutyl)benzene (CAS 4125-32-0)
- N2-Isopropylpyridine-2,4-diamine (CAS 1250407-50-1)
- Terizidone Impurity 4 (CAS CATO-C4X-30544)
- Antifreeze Polypeptide 6 (winter flounder) trifluoroacetate salt (CAS 122604-16-4)
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