Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate CAS 259269-68-6
| CAS No. | 259269-68-6 |
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.25 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.
Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate (CAS 259269-68-6) is a high-purity analytical reference standard with the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol.
Based on its molecular formula C12H14N2O4, Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 250.25 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.
As a certified reference material (CRM), Methyl 5-nitro-2-(pyrrolidin-1-yl)benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.25 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
Related Methyl Standards
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Recommended Standards
- Methyl 5-(benzo[d][1,3]dioxol-5-yl)-5-oxopentanoate (CAS 930116-86-2)
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- N-(5-Nitropyrimidin-2-yl)cyclohexanecarboxamide (CAS 331808-66-3)
- (2R,3S,5R)-5-(2-Fluoro-6-(2-(trimethylsilyl)ethoxy)-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol (CAS 151900-41-3)
- 1,2-Dichloro-1,2-difluoroethene (CAS 598-88-9)
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