4-(4-Cyanophenyl)-2-cyclopropyl-5-methyl-1H-pyrrole-3-carboxylic acid CAS 894074-70-5
| CAS No. | 894074-70-5 |
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(4-Cyanophenyl)-2-cyclopropyl-5-methyl-1H-pyrrole-3-carboxylic acid (CAS 894074-70-5) is a high-purity analytical reference standard with the molecular formula C16H14N2O2 and a molecular weight of 266.29 g/mol.
4-(4-Cyanophenyl)-2-cyclopropyl-5-methyl-1H-pyrrole-3-carboxylic acid (C16H14N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, its high carbon-to-hydrogen ratio confers good lipid solubility, 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 | C16H14N2O2 |
| Molecular Weight | 266.29 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 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(naphthalen-1-yl)butanoic acid (CAS 672964-72-6)
- Methyl 2-((4-benzylpiperidin-1-yl)methyl)-3-nitrobenzoate (CAS 860644-65-1)
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- 3-Methoxy-N-(3-nitrobenzyl)propan-1-amine (CAS 932261-55-7)
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