5-fluoro-2-sulfanyl-benzonitrile CAS 1339846-96-6
| CAS No. | 1339846-96-6 |
| Molecular Formula | C7H4FNS |
| Molecular Weight | 153.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-fluoro-2-sulfanyl-benzonitrile (CAS 1339846-96-6), molecular formula C7H4FNS and molecular weight 153.18 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrile group, sulfur-containing functionality, fluorine substitution, an aromatic ring system, 5-fluoro-2-sulfanyl-benzonitrile is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 153.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C7H4FNS |
| Molecular Weight | 153.18 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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