6-Methyl-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one CAS 40728-70-9
| CAS No. | 40728-70-9 |
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
6-Methyl-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one (CAS 40728-70-9), molecular formula C16H13NO2 and molecular weight 251.28 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 6-Methyl-2-(4-methylphenyl)-4H-3,1-benzoxazin-4-one (C16H13NO2) is characterized by a nitrogen-containing heterocyclic scaffold, 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 presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.28 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- (2-Fluoro-4-((4-fluorophenyl)carbamoyl)phenyl)boronic acid (CAS 2096332-80-6)
- cis-propenylphosphonic acid (CAS 25383-06-6)
- 1-Bromo-4-((1R,2R)-2-(trifluoromethyl)cyclopropyl)benzene (CAS 1820581-63-2)
- 6-Methyl-2-((2-(piperidin-1-yl)ethyl)thio)-4-(trifluoromethyl)nicotinonitrile (CAS 317844-64-7)
- 4-Chloro-7-(3-(trifluoromethyl)pyridin-2-yl)quinazoline (CAS 573675-83-9)
- 1-Dodecanethiol (CAS 112-55-0)
- rel-(2R,4S)-Methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylate (CAS 1253792-86-7)
- Semaglutide Impurity 167 (CAS CATO-C4X-2226167)
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