Benzoic acid, 3-fluoro-4-[(phenylmethyl)thio]- CAS 1063733-08-3
| CAS No. | 1063733-08-3 |
| Molecular Formula | C14H11FO2S |
| Molecular Weight | 262.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 262.30 g/mol gives Benzoic acid, 3-fluoro-4-[(phenylmethyl)thio]- distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Benzoic acid, 3-fluoro-4-[(phenylmethyl)thio]- (CAS 1063733-08-3) is a high-purity analytical reference standard with the molecular formula C14H11FO2S and a molecular weight of 262.30 g/mol.
Based on its molecular formula C14H11FO2S, Benzoic acid, 3-fluoro-4-[(phenylmethyl)thio]- contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 262.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C14H11FO2S |
| Molecular Weight | 262.30 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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