4,4,5,5,5-Pentafluoro-1-(thiophen-2-yl)pentane-1,3-dione CAS 1994-18-9
| CAS No. | 1994-18-9 |
| Molecular Formula | C9H5F5O2S |
| Molecular Weight | 272.19 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.
4,4,5,5,5-Pentafluoro-1-(thiophen-2-yl)pentane-1,3-dione (CAS 1994-18-9), molecular formula C9H5F5O2S and molecular weight 272.19 g/mol, is a CATO reference standard with documented purity and traceability.
4,4,5,5,5-Pentafluoro-1-(thiophen-2-yl)pentane-1,3-dione (C9H5F5O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C9H5F5O2S |
| Molecular Weight | 272.19 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 | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Pentafluoro Standards
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- 1,1,1,2,2-Pentafluoro-4-iodobutane (CAS 40723-80-6)
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- Nα-(5-Fluoro-2,4-dinitrophenyl)-L-alaninamide (CAS 95713-52-3)
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- 5,6-Dimethyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine (CAS 1105191-66-9)
- 4-Chloro-3-fluoro-2-hydroxybenzaldehyde (CAS 1427431-22-8)
- Ethyl 2-(2,3-difluorophenyl)acetate (CAS 302342-12-7)
- 2-(5-Bromothiophen-2-yl)-6-methylpyrimidin-4(3H)-one (CAS 1153297-57-4)
- N1,N1,N3-trimethyl-N3-(piperidin-4-yl)propane-1,3-diamine (CAS 1067660-91-6)
- 3-(2-Methoxybenzoyl)phenyl acetate (CAS 890099-24-8)
- rel-(1S,2S,4R)-7-Azabicyclo[2.2.1]heptan-2-amine (CAS 1000922-19-9)
- Semaglutide impurity 235 (CAS CATO-C4X-2226235)
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