4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione CAS 346-01-0
| CAS No. | 346-01-0 |
| Molecular Formula | C9H7F3O2S |
| Molecular Weight | 236.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione (CAS 346-01-0), molecular formula C9H7F3O2S and molecular weight 236.21 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione (C9H7F3O2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C9H7F3O2S |
| Molecular Weight | 236.21 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 Trifluoro Standards
- 4,4,4-Trifluoro-1-(3-methyl-2-thienyl)-1,3-butanedione (CAS 319-56-2)
- 4,4,4-trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione (CAS 326-72-7)
- 2,3',5'-Trifluoro-[1,1'-biphenyl]-4-carbaldehyde (CAS 1318975-41-5)
- 5,5,5-Trifluoro-4-hydroxy-4-(1-methyl-1h-imidazol-2-yl)pentan-2-one (CAS 930414-73-6)
- 4,4,4-Trifluoro-3-(3-fluorophenyl)butanoic acid (CAS 1342025-10-8)
- 4,4,4-Trifluoro-2-(4-fluorophenyl)butanoic acid (CAS 1512932-26-1)
- (R)-4,4,4-Trifluoro-3-(4-fluorophenyl)butanoic acid (CAS 1583309-36-7)
- 1,1,1-Trifluoro-11-dodecene-2-one (CAS 141023-04-3)
Recommended Standards
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- 4-(Benzyloxy)-2,5-difluorophenol (CAS 2413441-22-0)
- Diethyl 3,3-difluorocyclobutane-1,1-dicarboxylate (CAS 827032-79-1)
- 2-Amino-1-(5-methyl-2-nitrophenyl)ethan-1-one (CAS 1490693-22-5)
- 2,2',3',5-Tetrafluoro-[1,1'-biphenyl]-4-amine (CAS 1261853-90-0)
- 3-(6-Methylheptyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 571149-45-6)
- 4-Amino-6-cyclopropyl-1,3,5-triazin-2-ol (CAS 175204-67-8)
- 1-(2-Iminocyclobutyl)ethan-1-one (CAS 143739-99-5)
- tert-Butyl 1-Cbz-pyrrolidine-3-carboxylate (CAS 1820675-44-2)
- 1-Methyl-3-(piperazin-1-ylmethyl)-1h-indazole (CAS 1503352-53-1)
- (+)-Fusarisetin A 1300041-53-5 (CAS 1300041-53-5)
- VITAMIN A (12,13, 20-13C3) (CAS CATO-C4X-21875)
- Biotinyl-Pancreatic Polypeptide (human) trifluoroacetate salt (CAS 1816258-36-2)
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