5-Methanesulfonyl-1-methyl-3-nitro-1h-1,2,4-triazole CAS 346631-21-8
| CAS No. | 346631-21-8 |
| Molecular Formula | C4H6N4O4S |
| Molecular Weight | 206.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-Methanesulfonyl-1-methyl-3-nitro-1h-1,2,4-triazole (CAS 346631-21-8) is a high-purity analytical reference standard with the molecular formula C4H6N4O4S and a molecular weight of 206.18 g/mol.
Based on its molecular formula C4H6N4O4S, 5-Methanesulfonyl-1-methyl-3-nitro-1h-1,2,4-triazole contains a carbohydrate-derived structure, an amide group, a sulfone group; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 206.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C4H6N4O4S |
| Molecular Weight | 206.18 g/mol |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-((Trifluoromethyl)thio)benzaldehyde (CAS 51748-27-7)
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- Ethyl (R)-3-(piperidin-2-yl)benzoate hydrochloride (CAS 2244064-28-4)
- 1-(2-Bromo-3-methylphenyl)-N-methylmethanamine (CAS 1355334-67-6)
- (2-(Aminomethyl)-6-fluorospiro[3.3]heptan-2-yl)methanol hydrochloride (CAS 2715120-08-2)
- 3-[4-(tert-Butyl)-2-chlorophenoxy]piperidinehydrochloride (CAS 1220032-88-1)
- Debrisoquin-13C,15N2 Hemisulfate (CAS 1246814-89-0)
- 4-Amino-N,N,1-trimethyl-1H-pyrazole-3-carboxamide (CAS 1201935-77-4)
- Dibenzo[b,d]furan-4-sulfonic acid (CAS 42137-76-8)
- 1-(3-(3-Methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one (CAS 72129-79-4)
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