2-(3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide CAS 861209-40-7
| CAS No. | 861209-40-7 |
| Molecular Formula | C24H17F3N2O4 |
| Molecular Weight | 454.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 454.40 g/mol gives 2-(3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide (CAS 861209-40-7), molecular formula C24H17F3N2O4 and molecular weight 454.40 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-(3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 454.40 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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 | C24H17F3N2O4 |
| Molecular Weight | 454.40 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Oxo Standards
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- (2Z)-3-[3-(2,3-Dihydro-1H-inden-5-yl)-1-phenyl-1H-pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile (CAS 956441-15-9)
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Recommended Standards
- (1-(2-(((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)methyl)phenyl)piperidin-4-yl)methanol (CAS 860610-88-4)
- 2-(4-Methoxyphenyl)-N'-(3-(trifluoromethyl)benzoyl)imidazo[1,2-a]pyridine-6-carbohydrazide (CAS 866138-00-3)
- (R)-5-Bromo-1-methyl-2-tritylisoindoline (CAS 194805-14-6)
- Methyl 2-{[1-({2-[(4-bromophenyl)sulfanyl]ethyl}carbamoyl)ethyl]sulfanyl}benzoate (CAS 337923-65-6)
- S-(4-Chlorophenyl) methylcarbamothioate (CAS 29411-04-9)
- 4-Amino-2,2-difluoropentanedioic acid (CAS 173282-21-8)
- 3-(4-Bromophenyl)-3-methyloxetane, 97% (CAS 872882-97-8)
- 2-(4-Chlorophenoxy)-N-(4-(dimethylamino)-2-morpholinopyrimidin-5-yl)acetamide (CAS 1797622-75-3)
- 5-(Trifluoromethyl)-1H-benzo[d][1,2,3]triazole (CAS 1548-67-0)
- Benzyl 2-Acetamido-2,6-dideoxy-3-O-β-D-galactopyranosyl α-D-Galactopyranoside (CAS 141020-28-2)
- 2-Aminoacetonitrile sulfate (CAS 151-63-3)
- Methotrexate EP Impurity D (CAS 5623-18-7)
- N-(2-Chloro-4-nitrophenyl)-3-(furan-2-yl)acrylamide (CAS 853349-20-9)
- Semaglutide impurity 247 (CAS CATO-C4X-2226247)
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