5-Bromo-2-oxo-1-(3-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxylic acid CAS 338982-36-8
| CAS No. | 338982-36-8 |
| Molecular Formula | C14H9BrF3NO3 |
| Molecular Weight | 376.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 376.13 g/mol gives 5-Bromo-2-oxo-1-(3-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Bromo-2-oxo-1-(3-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxylic acid (CAS 338982-36-8) is a high-purity analytical reference standard with the molecular formula C14H9BrF3NO3 and a molecular weight of 376.13 g/mol.
Structurally, 5-Bromo-2-oxo-1-(3-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxylic acid (C14H9BrF3NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 376.13 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.
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 | C14H9BrF3NO3 |
| Molecular Weight | 376.13 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 4-Bromophenyl disulfide (CAS 5335-84-2)
- 9,10-Dimethylphenanthrene (CAS 604-83-1)
- (4-Phenoxyphenyl)acetyl chloride (CAS 373361-71-8)
- (S)-1-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,3-dimethyl-2-((pyridin-4-ylmethyl)amino)butan-1-one hydrochloride (CAS 1610882-30-8)
- N-(pyridin-2-ylmethyl)adamantan-1-amine hydrobromide (CAS 1609408-97-0)
- 3-Amino-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one (CAS 938515-47-0)
- 2,5-Diiodopyridin-3-ol (CAS 1142191-68-1)
- 1-Boc-3,3-difluoropiperidine-4-carboxylic Acid (CAS 1303972-81-7)
- Gadoteridol Impurity N112 (CAS CATO-C4X-1514112)
- (S)-2-Chloro-N-methyl-N-((1-methylpyrrolidin-2-yl)methyl)acetamide (CAS 1354002-68-8)
- Pancreatic Polypeptide (31-36) Free Acid, human (CAS 192432-73-8)
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