| CAS No. | 1024448-98-3 |
| Molecular Formula | C13H9F3O2S |
| Molecular Weight | 286.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Structurally, Methyl 5-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylate (C13H9F3O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 286.27 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Methyl 5-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylate (CAS 1024448-98-3) is a high-purity analytical reference standard with the molecular formula C13H9F3O2S and a molecular weight of 286.27 g/mol.
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.
| Molecular Formula | C13H9F3O2S |
| Molecular Weight | 286.27 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |