2,4,6-Trifluorophenylisothiocyanate CAS 206761-91-3
| CAS No. | 206761-91-3 |
| Molecular Formula | C7H2F3NS |
| Molecular Weight | 189.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2,4,6-Trifluorophenylisothiocyanate (C7H2F3NS) is characterized by a nitrile group, sulfur-containing functionality, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2,4,6-Trifluorophenylisothiocyanate (CAS 206761-91-3), molecular formula C7H2F3NS and molecular weight 189.16 g/mol, is a CATO reference standard with documented purity and traceability.
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.) | 2016 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluorophenylisothiocyanate Standards
Recommended Standards
- 2,6-Difluoro-3,5-dimethoxyaniline (CAS 651734-54-2)
- 2,2-Difluoro-2-(3-methoxypyridin-2-yl)ethan-1-ol (CAS 2228608-88-4)
- 2-Difluoromethoxy-5-methoxy-phenylamine (CAS 926238-82-6)
- 1,2,4-Trifluoro-3-isothiocyanatobenzene (CAS 362690-54-8)
- 4-Formyl-2-methoxybenzoic acid (CAS 194928-58-0)
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- 2-Chloro-4,6-difluorobenzo[d]oxazole (CAS 1343514-56-6)
- 1-(3,4-Difluorobenzyl)-1H-imidazole (CAS 906478-71-5)
- 3,5-Di-tert-butyl-4-methylphenol (CAS 950-56-1)
- tert-Butyl 3-(2,5-difluorobenzyl)piperazine-1-carboxylate (CAS 886775-36-6)
- trimethyl-[2-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane (CAS 2780325-20-2)
- tert-Butyl (2R,4R)-4-(benzyloxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CAS 869527-82-2)
- n-(2-Ethylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxamide (CAS 923755-92-4)
- C-Peptide (Proinsulin) (CAS 59112-80-0)
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