1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid CAS 159427-77-7
| CAS No. | 159427-77-7 |
| Molecular Formula | C6H5N3O6 |
| Molecular Weight | 215.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid is closely related to a carbohydrate-derived structure, an amide group in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid (CAS 159427-77-7), a certified reference material (molecular formula C6H5N3O6, MW 215.12 g/mol) for analytical method development and quality control.
The molecular framework of 1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid (C6H5N3O6) is characterized by a carbohydrate-derived structure, an amide group. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C6H5N3O6 |
| Molecular Weight | 215.12 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, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Nitrogen Atoms | 3 |
Related Methyl Standards
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Recommended Standards
- Pentafluorophenyl isocyanate (CAS 1591-95-3)
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- (4-(n-(Tert-butyl)sulfamoyl)-2-methylphenyl)boronic acid (CAS 958651-73-5)
- 3-(3-Oxo-1,3-dihydro-2H-indazol-2-yl)propanoic acid (CAS 54932-71-7)
- Ethyl 2-(6-oxo-3-(1H-pyrazol-1-yl)pyridazin-1(6H)-yl)acetate (CAS 1334374-05-8)
- (E)-3-(2-Nitrophenyl)-1-phenylprop-2-en-1-one (CAS 53744-31-3)
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- 2-((6-Methoxy-1h-benzo[d]imidazol-2-yl)thio)acetaldehyde (CAS 1250343-26-0)
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