4,4,4-trifluoro-3-(trifluoromethyl)-2-butenoic Acid Ethyl Ester CAS 1513-60-6
| CAS No. | 1513-60-6 |
| Molecular Formula | C7H6F6O2 |
| Molecular Weight | 236.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4,4,4-trifluoro-3-(trifluoromethyl)-2-butenoic Acid Ethyl Ester.
CATO supplies 4,4,4-trifluoro-3-(trifluoromethyl)-2-butenoic Acid Ethyl Ester (CAS 1513-60-6), a certified reference material (molecular formula C7H6F6O2, MW 236.11 g/mol) for analytical method development and quality control.
4,4,4-trifluoro-3-(trifluoromethyl)-2-butenoic Acid Ethyl Ester (C7H6F6O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. 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.
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 | C7H6F6O2 |
| Molecular Weight | 236.11 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 | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
Related trifluoro Standards
- 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)
- 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-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)
- 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione (CAS 346-01-0)
Recommended Standards
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- 2-Nitrophenylethyl bromide (CAS 16793-89-8)
- N-[4-(aminomethyl)phenyl]-2-hydroxybenzamide (CAS 926271-67-2)
- Ethyl 3-(indolin-1-yl)propanoate (CAS 887574-27-8)
- tert-Butyl 4-(6-(hydroxymethyl)pyrazin-2-yl)piperazine-1-carboxylate (CAS 1956382-68-5)
- N-(4-Acetylphenyl)-2-chloro-5-iodobenzamide (CAS 425649-10-1)
- 7-Bromo-2-(methylsulfonyl)-4-(methylthio)imidazo[2,1-f][1,2,4]triazine (CAS 2702282-82-2)
- [1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]methanol (CAS 111340-39-7)
- 2-(4-(4-Chlorophenylsulfonyl)-4-(2,5-difluorophenyl)cyclohexylidene)acetonitrile (CAS 656810-84-3)
- 1-benzyl-5-methyl-1H-pyrazole-4-carboxylic acid (CAS 288252-42-6)
- (1S,2R,5R)-5-Amino-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol (CAS 163317-02-0)
- Semaglutide impurity 273 (CAS CATO-C4X-2226273)
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