4-(3-nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid methyl ester CAS 406470-74-4
| CAS No. | 406470-74-4 |
| Molecular Formula | C11H10N4O4 |
| Molecular Weight | 262.22 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 4-(3-nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid methyl ester.
4-(3-nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid methyl ester (CAS 406470-74-4), molecular formula C11H10N4O4 and molecular weight 262.22 g/mol, is a CATO reference standard with documented purity and traceability.
4-(3-nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid methyl ester (C11H10N4O4) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C11H10N4O4 |
| Molecular Weight | 262.22 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
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Recommended Standards
- 4-[(2-Furylmethyl)amino]-3-nitrobenzoic acid (CAS 284672-98-6)
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- 4-((Furan-2-ylmethyl)thio)piperidine (CAS 1250777-84-4)
- 2-Methyl-5-(pentafluoro-λ6-sulfanyl)benzoic acid (CAS 623943-54-4)
- 3-Aminopyrazine-2-sulfonamide (CAS 43029-09-0)
- 3-Methyl-8-(4-methylpiperidin-1-yl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione (CAS 919017-29-1)
- (2H-Tetrazol-5-yl)methanamine hydrobromide (CAS 33841-56-4)
- 3-chloro-2,4-dimethoxybenzoic acid (CAS 914933-75-8)
- 4-Bromo-3-methoxy-2-(trifluoromethyl)pyridine (CAS 1211526-81-6)
- 1-(4-methoxyphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline,HCl (CAS 1431962-16-1)
- Urotensin II-Related Peptide (human, mouse, rat) (CAS 342878-90-4)
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