13-Nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene CAS 866157-25-7
| CAS No. | 866157-25-7 |
| Molecular Formula | C21H13F3N2O5 |
| Molecular Weight | 430.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 13-Nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
13-Nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene (CAS 866157-25-7) is a high-purity analytical reference standard with the molecular formula C21H13F3N2O5 and a molecular weight of 430.33 g/mol.
The molecular framework of 13-Nitro-9-[3-(trifluoromethoxy)benzoyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene (C21H13F3N2O5) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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 | C21H13F3N2O5 |
| Molecular Weight | 430.33 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Nitro Standards
- 1-((4-(4-Nitro-2-(trifluoromethyl)phenoxy)phenyl)sulfonyl)piperidine (CAS 1858240-22-8)
- 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl thiophene-2-carboxylate (CAS 338748-61-1)
- 13-Nitro-N-[3-(trifluoromethyl)phenyl]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-9-carboxamide (CAS 866157-23-5)
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Recommended Standards
- (S)-3-(4-((5-bromopentyl)oxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid (CAS 1579942-13-4)
- 2-[(4-Cyano-5-methyl-1,2-thiazol-3-yl)sulfanyl]-N'-[2-(2,4-dichlorophenoxy)ethanimidoyl]acetohydrazide (CAS 338395-70-3)
- Methyl 4-{4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]piperidin-1-yl}benzoate (CAS 1026095-65-7)
- 5-Benzoyl-6-(4-(difluoromethoxy)phenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one (CAS 374561-34-9)
- (1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methanol (CAS 2138162-49-7)
- 1-((Benzyloxy)carbonyl)-5-methylpiperidine-2-carboxylic acid (CAS 129769-20-6)
- 3-(3-bromo-2,4-dimethoxyphenyl)cyclopent-2-en-1-one (CAS 1969607-45-1)
- 2-Amino-N-((3-chloropyrazin-2-yl)methyl)-N-cyclopropylacetamide (CAS 1353978-88-7)
- N-(Phosphonomethyl)iminodiacetic acid (CAS 5994-61-6)
- 2-Ethylpyridine-4-boronic Acid Pinacol Ester (CAS 741709-60-4)
- Butyldiisopropoxyborane (CAS 86595-32-6)
- Ethyl 3-amino-3-(3-nitrophenyl)propanoate hydrochloride (CAS 283613-07-0)
- 1-(1-(tert-Butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N,N-trimethylmethanaminium iodide (CAS 144866-90-0)
- [D-His1]-Semaglutide (CAS CATO-C4X-2226127)
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