5-Chloro-3-methyl-4-nitro-1H-pyrazole CAS 6814-58-0
| CAS No. | 6814-58-0 |
| Molecular Formula | C4H4ClN3O2 |
| Molecular Weight | 161.55 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Chloro-3-methyl-4-nitro-1H-pyrazole.
CATO supplies 5-Chloro-3-methyl-4-nitro-1H-pyrazole (CAS 6814-58-0), a certified reference material (molecular formula C4H4ClN3O2, MW 161.55 g/mol) for analytical method development and quality control.
Based on its molecular formula C4H4ClN3O2, 5-Chloro-3-methyl-4-nitro-1H-pyrazole contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 161.55 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C4H4ClN3O2 |
| Molecular Weight | 161.55 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 1428577-87-0 5-Chloro-1-(~2~H_3_)methyl-4-nitro-1H-pyrazole DTXSID40857353 (CAS 1428577-87-0)
- 2-Chloro-1-methyl-4-nitro-1H-imidazole (CAS 63634-21-9)
- 2-Chloro-1-methyl-5-nitro-1H-imidazole (CAS 86072-07-3)
- 2-chloro-N-(1H-1,2,3,4-tetrazol-5-yl)acetamide (CAS 6158-78-7)
- 3-Chloro-1-methyl-4-nitro-1H-pyrazole (CAS 299930-70-4)
- 4-Chloro-1-methyl-2-nitro-1H-imidazole (CAS 63634-20-8)
- 4-chloro-1-methyl-5-nitro-1H-pyrazole (CAS 84547-95-5)
- 4-Chloro-2-methyl-5-nitro-1H-imidazole (CAS 63662-67-9)
Recommended Standards
- 5-Chloro-1-methyl-4-nitro-pyrazole, 97% (CAS 42098-25-9)
- 5-Methyl-3-oxo-2,3-dihydro-1H-1,2,4-triazole-1-carbonyl chloride (CAS 54945-02-7)
- 5-Chloro-1H-1,2,4-triazole-3-carbohydrazide (CAS 199292-15-4)
- 6-(Chloromethyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione (CAS 24753-63-7)
- [(S)-1-(5-Fluoro-2-methyl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester (CAS 1217681-71-4)
- (2E)-3-(1-Benzyl-1H-1,2,3-triazol-4-yl)prop-2-enoic acid (CAS 856863-09-7)
- 4-Bromo-6-fluoro-8-methylquinoline (CAS 1378255-46-9)
- Methyl 4-(4-((tert-butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxylate (CAS 126092-97-5)
- 2-(2-(Cyclopentylamino)ethoxy)ethan-1-ol (CAS 1042620-08-5)
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- Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid hydrate (CAS 1559062-19-9)
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