4-[2-(Trifluoromethyl)phenyl]oxane-4-carboxylic acid CAS 1385696-72-9
| CAS No. | 1385696-72-9 |
| Molecular Formula | C13H13F3O3 |
| Molecular Weight | 274.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[2-(Trifluoromethyl)phenyl]oxane-4-carboxylic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-[2-(Trifluoromethyl)phenyl]oxane-4-carboxylic acid (CAS 1385696-72-9) is a high-purity analytical reference standard with the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 4-[2-(Trifluoromethyl)phenyl]oxane-4-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 274.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), 4-[2-(Trifluoromethyl)phenyl]oxane-4-carboxylic acid 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.
Physical & Chemical Properties
| Molecular Formula | C13H13F3O3 |
| Molecular Weight | 274.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
Related Trifluoromethyl Standards
- 6-(4-(Trifluoromethyl)piperidin-1-yl)nicotinic acid (CAS 1033463-36-3)
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- 2-(4-(Trifluoromethyl)phenyl)quinazoline (CAS 1208259-10-2)
- 1-[4-(Trifluoromethyl)-2-pyridyl]piperidine-4-carboxylic Acid (CAS 1256792-04-7)
- 3-{[4-(trifluoromethyl)phenyl]methyl}oxolane-3-carboxylic acid (CAS 1281657-95-1)
- Methyl 5-(4-(trifluoromethyl)phenyl)tetrahydrofuran-2-carboxylate (CAS 1421601-10-6)
- Methyl 5-(2-(trifluoromethyl)phenyl)tetrahydrofuran-2-carboxylate (CAS 1421602-29-0)
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Recommended Standards
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- (R)-1-(4-Nitrophenyl)-2-(trifluoromethyl)-piperidine (CAS 1416348-80-5)
- Methyl 3-methylquinoline-2-carboxylate (CAS 53821-46-8)
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- Tris(N,N-bis(trimethylsilyl)amide)lanthanum(III) (CAS 35788-99-9)
- (2S,5R)-tert-Butyl 2-carbamoyl-5-(4-((2-fluorobenzyl)oxy)phenyl)pyrrolidine-1-carboxylate (CAS 934240-45-6)
- 1-(3-Methoxybenzyl)-1H-pyrrole-3-carboxylic acid (CAS 1540618-15-2)
- (1S,2S,4R)-7-oxabicyclo[2.2.1]Heptane-2-carbonitrile (CAS 1932201-32-5)
- 1-Methoxy-2-(prop-1-yn-1-yl)benzene (CAS 66021-98-5)
- Semaglutide Impurity 139 (CAS CATO-C4X-2226139)
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