| CAS No. | 477866-76-5 |
| Molecular Formula | C14H7ClF3NS |
| Molecular Weight | 313.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 313.73 g/mol gives 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile (CAS 477866-76-5) is a high-purity analytical reference standard with the molecular formula C14H7ClF3NS and a molecular weight of 313.73 g/mol.
Structurally, 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile (C14H7ClF3NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine 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 313.73 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), 2-[(3-Chlorophenyl)sulfanyl]-5-(trifluoromethyl)benzonitrile 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.
| Molecular Formula | C14H7ClF3NS |
| Molecular Weight | 313.73 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |