7-Chloro-2-(3,4-dichlorophenyl)-4H-benzo[d][1,3]oxazin-4-one CAS 332033-38-2
| CAS No. | 332033-38-2 |
| Molecular Formula | C14H6Cl3NO2 |
| Molecular Weight | 326.56 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.
7-Chloro-2-(3,4-dichlorophenyl)-4H-benzo[d][1,3]oxazin-4-one (CAS 332033-38-2), molecular formula C14H6Cl3NO2 and molecular weight 326.56 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 7-Chloro-2-(3,4-dichlorophenyl)-4H-benzo[d][1,3]oxazin-4-one (C14H6Cl3NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C14H6Cl3NO2 |
| Molecular Weight | 326.56 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Octadecyl propionate (CAS 52663-48-6)
- (S)-2-Amino-4,4,4-trichlorobutanoic acid (CAS 53518-91-5)
- 2-Nitro-6-(pyrrolidin-1-yl)benzaldehyde (CAS 1779123-33-9)
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- 10-(Benzo[d]oxazol-2-yl)-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one (CAS 87331-47-3)
- 8-Methyl-6,9-diazaspiro[4.5]decane (CAS 1486802-24-7)
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