(S)-2-((1-(2-(trifluoromethyl)phenyl)ethoxy)carbonyl)benzoic acid CAS 127852-25-9
| CAS No. | 127852-25-9 |
| Molecular Formula | C17H13F3O4 |
| Molecular Weight | 338.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 338.28 g/mol gives (S)-2-((1-(2-(trifluoromethyl)phenyl)ethoxy)carbonyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(S)-2-((1-(2-(trifluoromethyl)phenyl)ethoxy)carbonyl)benzoic acid (CAS 127852-25-9) is a high-purity analytical reference standard with the molecular formula C17H13F3O4 and a molecular weight of 338.28 g/mol.
Structurally, (S)-2-((1-(2-(trifluoromethyl)phenyl)ethoxy)carbonyl)benzoic acid (C17H13F3O4) contains a flavonoid core, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 338.28 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C17H13F3O4 |
| Molecular Weight | 338.28 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
Related S Standards
- 2-((1-(2-(Trifluoromethyl)phenyl)ethoxy)carbonyl)benzoic acid (CAS 127733-45-3)
- 3-((5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl)sulfonyl)benzoic acid (CAS 62617-21-4)
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- 2-[3-(Trifluoromethyl)benzenesulfonyl]quinoxaline (CAS 338394-56-2)
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- 4-(Trifluoromethyl)phenyl β-D-Glucopyranosiduronic Acid (CAS 176223-16-8)
- 1-Methyl-3-(trifluoromethyl)-5-[2-(trifluoro-methyl)phenoxy]-1H-pyrazole-4-carbaldehyde (CAS 1176437-32-3)
Recommended Standards
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- Pancreatic Polypeptide (1-17)-(Ala31,Aib32)-Neuropeptide Y (18-36) (human) trifluoroacetate salt (CAS 313988-70-4)
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