| CAS No. | 138801-92-0 |
| Molecular Formula | C10H7NO2 |
| Molecular Weight | 173.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 173.17 g/mol gives 4-Oxochroman-6-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Oxochroman-6-carbonitrile (CAS 138801-92-0), molecular formula C10H7NO2 and molecular weight 173.17 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Oxochroman-6-carbonitrile (C10H7NO2) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
| Molecular Formula | C10H7NO2 |
| Molecular Weight | 173.17 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Nitrogen Atoms | 1 |