4-Fluoro-2-(trifluoromethyl)phenylisothiocyanate CAS 302912-41-0
| CAS No. | 302912-41-0 |
| Molecular Formula | C8H3F4NS |
| Molecular Weight | 221.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Fluoro-2-(trifluoromethyl)phenylisothiocyanate (CAS 302912-41-0) is a high-purity analytical reference standard with the molecular formula C8H3F4NS and a molecular weight of 221.17 g/mol.
4-Fluoro-2-(trifluoromethyl)phenylisothiocyanate (C8H3F4NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C8H3F4NS |
| Molecular Weight | 221.17 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 Fluoro Standards
- 3-Fluoro-5-(trifluoromethyl)phenylisothiocyanate (CAS 1027513-10-5)
- 5-Fluoro-2-(trifluoromethyl)benzo[d]thiazole (CAS 1188022-74-3)
- 6-Fluoro-2-(trifluoromethyl)benzo[d]thiazole (CAS 1188026-75-6)
- 4-Fluoro-2-(trifluoromethyl)benzo[d]thiazole (CAS 1188057-06-8)
- 7-Fluoro-2-(trifluoromethyl)benzo[d]thiazole (CAS 1188165-54-9)
- 1-fluoro-2-isothiocyanato-4-(trifluoromethyl)benzene (CAS 302912-40-9)
- 4-Fluoro-3-(trifluoromethyl)phenyl isothiocyanate (CAS 302912-43-2)
- 4-Fluoro-3-nitrobenzenesulfonic acid (CAS 3888-84-4)
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- 4-Cyclopropoxyphenol (CAS 1243475-81-1)
- Methyl 2-((1,1-dioxidobenzo[d]isothiazol-3(2h)-ylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 568550-83-4)
- Dibenzyl 1-(4-(methoxycarbonyl)phenyl)-2-methylhydrazine-1,2-dicarboxylate (CAS 1415560-10-9)
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