6-Oxo-2-(pentafluoro-λ6-sulfanyl)cyclohexa-2,4-dien-1-ylium CAS 672-31-1
| CAS No. | 672-31-1 |
| Molecular Formula | C6H5F5OS |
| Molecular Weight | 220.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 220.16 g/mol gives 6-Oxo-2-(pentafluoro-λ6-sulfanyl)cyclohexa-2,4-dien-1-ylium distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-Oxo-2-(pentafluoro-λ6-sulfanyl)cyclohexa-2,4-dien-1-ylium (CAS 672-31-1), molecular formula C6H5F5OS and molecular weight 220.16 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-Oxo-2-(pentafluoro-λ6-sulfanyl)cyclohexa-2,4-dien-1-ylium (C6H5F5OS) contains sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 220.16 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 6-Oxo-2-(pentafluoro-λ6-sulfanyl)cyclohexa-2,4-dien-1-ylium 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 | C6H5F5OS |
| Molecular Weight | 220.16 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Stable under recommended storage conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Oxo Standards
- 2-(Pentafluoro-lambda6-sulfanyl)phenol (CAS 1126968-75-9)
- 5-(Pentafluoro-l6-sulfaneyl)pyridin-2-amine (CAS 1982380-97-1)
- 2-(Pentafluoro-lambda6-sulfanyl)aniline (CAS 1246998-10-6)
- 1,2,3,4,5-pentafluoro-6-nitrobenzene 2,3,4,5,6-Pentafluoronitrobenzene 880-78-4 (CAS 880-78-4)
- 3,3,4,4,4-Pentafluoro-2-hydroxy-2-methylbutyric acid methyl ester (CAS 723294-73-3)
- Pentafluoro(3-fluorophenyl)-λ6-sulfane (CAS 1422-41-9)
- 5,5,6,6,6-Pentafluoro-2,2-dimethylhexan-3-one (CAS 177264-69-6)
- 2,2,3,3,6-Pentafluoro-2,3-dihydro-1H-inden-1-ol (CAS 2416308-58-0)
Recommended Standards
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- 2-Propenoic acid, 2-methyl-, (R)-tetrahydro-5-oxo-3-furanyl ester (CAS 521291-59-8)
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- 7-Bromo-N-(4-methoxybenzyl)-4-methyl-1,5-naphthyridin-2-amine (CAS 2891456-41-8)
- 2-Bromo-5-fluorobenzophenone (CAS 13294-43-4)
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