3-Cyano-4-nitrophenyl azetidine-1-carboxylate CAS 920966-44-5
| CAS No. | 920966-44-5 |
| Molecular Formula | C11H9N3O4 |
| Molecular Weight | 247.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-Cyano-4-nitrophenyl azetidine-1-carboxylate (C11H9N3O4) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 247.21 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
3-Cyano-4-nitrophenyl azetidine-1-carboxylate (CAS 920966-44-5), molecular formula C11H9N3O4 and molecular weight 247.21 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C11H9N3O4 |
| Molecular Weight | 247.21 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.) | 1987 |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- 5-bromo-1H,2H,3H-pyrrolo[2,3-b]pyridine-2,3-dione (CAS 149142-67-6)
- 2-(4-Bromo-2-chlorophenoxy)-2-phenylacetic acid (CAS 938261-85-9)
- 7-[(tert-Butoxy)carbonyl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylic acid (CAS 1393576-14-1)
- (S)-3-fluoro-N-(pyrrolidin-3-yl)benzenesulfonamide hydrochloride (CAS 1354018-70-4)
- 4-Amino-1-benzylpiperidine-4-carboxamide (CAS 170921-49-0)
- 3-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture) (CAS 606488-94-2)
- 2-((2-Methoxyethyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 557079-69-3)
- Methyl 3-bromo-4,5-dimethylbenzoate (CAS 1515085-81-0)
- Semaglutide impurity 86 (CAS CATO-C4X-222686)
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