4,4,4-trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione CAS 326-72-7
| CAS No. | 326-72-7 |
| Molecular Formula | C9H7F3O2S |
| Molecular Weight | 236.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 4,4,4-trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione (CAS 326-72-7), a certified reference material (molecular formula C9H7F3O2S, MW 236.21 g/mol) for analytical method development and quality control.
4,4,4-trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione (C9H7F3O2S) 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.
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.
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-2-methyl-1-(thiophen-2-yl)butane-1,3-dione (CAS 346-01-0)
- 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
- 4-(Benzyloxy)-2,5-difluorophenol (CAS 2413441-22-0)
- 4-Benzyloxy-3,5-difluorophenol (CAS 99045-19-9)
- 4-((2,2,2-Trifluoroethyl)thio)benzoic acid (CAS 954562-94-8)
- Diethyl 2-(1,1-difluoropropan-2-ylidene)malonate (CAS 2095888-49-4)
- 6-Bromo-2,3-dihydrobenzofuran-5-ol (CAS 40492-53-3)
- 2,3-Dichloro-6,7-dimethylquinoxaline (CAS 63810-80-0)
- 1-(Sec-butylthio)-3-hydroxycyclobutane-1-carboxylic acid (CAS 1489270-47-4)
- 2,2,3,3-Tetrafluoro-1,4-benzodioxane-5- carboxylic acid (CAS 398156-39-3)
- Imidazo[1,2-c]quinazoline-2,5(3H,6H)-dione (CAS 78754-92-4)
- 1,2-Diamino(propane-d<SUB>6</SUB>) (CAS 1173018-88-6)
- 1-(2-Fluoro-ethyl)-1h-[1,2,3]triazol-4-ylamine (CAS 1443289-85-7)
- Ethyl (2-(2-(4-chloro-2-methylphenoxy)acetyl)hydrazine-1-carbonyl)phenylalaninate (CAS 1396988-90-1)
- 2-Methylquinolin-3-amine dihydrochloride (CAS 1955493-49-8)
- Tirzepatide Impurity 45 (CAS CATO-C4X-324045)
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