(E)-2-Bromo-4,4,4-trifluoro-2-butenoic acid ethyl ester CAS 138778-57-1
| CAS No. | 138778-57-1 |
| Molecular Formula | C6H6BrF3O2 |
| Molecular Weight | 247.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, (E)-2-Bromo-4,4,4-trifluoro-2-butenoic acid ethyl ester (C6H6BrF3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine 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 247.01 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.
CATO supplies (E)-2-Bromo-4,4,4-trifluoro-2-butenoic acid ethyl ester (CAS 138778-57-1), a certified reference material (molecular formula C6H6BrF3O2, MW 247.01 g/mol) for analytical method development and quality control.
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 | C6H6BrF3O2 |
| Molecular Weight | 247.01 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.) | 1996 |
| Halogen Content | F/Br-containing |
Related E Standards
- 3-Bromo-4-ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 119577-50-3)
- Ethyl 2-bromo-4,4,4-trifluorobut-2-enoate (CAS 1236144-57-2)
- Ethyl 2-bromo-4,4,4-trifluorobut-2-enoate (CAS 136264-28-3)
- (3Z)-5-bromo-1,1,1-trifluoro-4-methoxypent-3-en-2-one (CAS 502926-95-6)
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- 6-Bromo-5-nitropyridine-2-carboxylic acid (CAS 1211578-33-4)
- 3-Bromo-5-nitropicolinic acid (CAS 1211583-91-3)
Recommended Standards
- 2-Fluoro-4-iodobenzonitrile (CAS 137553-42-5)
- 4-Fluoro-3-iodobenzonitrile (CAS 159719-57-0)
- 2-Fluoro-3-iodobenzonitrile (CAS 211943-27-0)
- 2-Fluoro-5-iodobenzonitrile (CAS 351003-36-6)
- 2-(3,4-Difluorobenzoyl)-6-methoxypyridine (CAS 1187166-54-6)
- 2-(4-Chlorophenyl)-1-(pyridin-3-yl)ethan-1-one (CAS 31251-54-4)
- 1-(3-Fluoro-2-methylphenyl)-2-methylpropan-1-one (CAS 1248015-60-2)
- (S)-Dimethyl 2-hydroxysuccinate (CAS 617-55-0)
- 4-[Isocyano(toluene-4-sulfonyl)methyl]-1,2-dimethoxybenzene (CAS 943614-50-4)
- n-(3-Acetylphenyl)benzenesulfonamide (CAS 76883-63-1)
- 1-{[1-(bromomethyl)cyclopropyl]methoxy}-3-(methoxymethyl)benzene (CAS 1423035-01-1)
- 7-Chloro-5-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate (CAS 2226905-14-0)
- 2-(2-Fluoropyridin-3-yl)propan-2-ol (CAS 40247-48-1)
- Semaglutide Impurity 75 (CAS CATO-C4X-2226175)
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