4-(3-(Trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one CAS 704875-69-4
| CAS No. | 704875-69-4 |
| Molecular Formula | C16H11F3N2O2 |
| Molecular Weight | 320.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(3-(Trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one (CAS 704875-69-4), molecular formula C16H11F3N2O2 and molecular weight 320.27 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(3-(Trifluoromethyl)benzoyl)-3,4-dihydroquinoxalin-2(1H)-one (C16H11F3N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 320.27 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C16H11F3N2O2 |
| Molecular Weight | 320.27 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, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoromethyl Standards
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Recommended Standards
- 3-Oxo-3-phenyl-2-{2-[3-(trifluoromethyl)phenyl]hydrazono}propanal (CAS 339279-39-9)
- 4-(4-Methoxyphenoxy)-2-(trifluoromethyl)quinazoline (CAS 337924-46-6)
- 2-(4-Methoxyphenoxy)-3-(trifluoromethyl)quinoxaline (CAS 338773-62-9)
- 4-Methoxy-2-(naphthalen-2-yloxy)-6-(trifluoromethyl)pyrimidine (CAS 383148-58-1)
- 4-Bromobicyclo[2.2.2]octane-1-carboxylic acid (CAS 1989-50-0)
- 4-(1-Methyl-1H-pyrazol-5-yl)benzonitrile (CAS 1187334-93-5)
- N-(2-hydroxyethyl)-N-methylpiperazine-1-sulfonamide (CAS 1179650-21-5)
- Phenyl(3-(trifluoromethyl)phenyl)methanamine (CAS 70428-92-1)
- 4-(4-Isopropylpiperazin-1-yl)benzaldehyde (CAS 197638-78-1)
- Rhenium, di-μ-carbonylhexacarbonylbis(triphenylphosphine)di-, (Re-Re), stereoisomer (CAS 111435-20-2)
- Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate (CAS 95696-19-8)
- 1-(6-Chloro-1h-indol-3-yl)ethan-1-one (CAS 184151-47-1)
- 4-Acetyl-piperazine-1,2-dicarboxylic acid-1-tert-butyl ester (CAS 939997-63-4)
- D-Ser39-Tirzepatide (CAS CATO-CPTD788679)
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