1,1,1-trifluoro-5-isothiocyanatopentane CAS 1549699-16-2
| CAS No. | 1549699-16-2 |
| Molecular Formula | C6H8F3NS |
| Molecular Weight | 183.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1,1,1-trifluoro-5-isothiocyanatopentane (CAS 1549699-16-2) is a high-purity analytical reference standard with the molecular formula C6H8F3NS and a molecular weight of 183.19 g/mol.
The molecular framework of 1,1,1-trifluoro-5-isothiocyanatopentane (C6H8F3NS) is characterized by a nitrile group, sulfur-containing functionality, fluorine substitution. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 1,1,1-trifluoro-5-isothiocyanatopentane 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.
Physical & Chemical Properties
| Molecular Formula | C6H8F3NS |
| Molecular Weight | 183.19 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 | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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- Peptide 432 (CAS CATO-CPTD788432)
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