3,4,5-Trifluorophenylisothiocyanate CAS 362690-52-6
| CAS No. | 362690-52-6 |
| Molecular Formula | C7H2F3NS |
| Molecular Weight | 189.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3,4,5-Trifluorophenylisothiocyanate is closely related to a nitrile group, sulfur-containing functionality, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3,4,5-Trifluorophenylisothiocyanate (CAS 362690-52-6), a certified reference material (molecular formula C7H2F3NS, MW 189.16 g/mol) for analytical method development and quality control.
Structurally, 3,4,5-Trifluorophenylisothiocyanate (C7H2F3NS) contains a nitrile group, sulfur-containing functionality, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 189.16 g/mol, it falls into the medium-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.
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 | C7H2F3NS |
| Molecular Weight | 189.16 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluorophenylisothiocyanate Standards
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