4-Oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid CAS 296272-06-5
| CAS No. | 296272-06-5 |
| Molecular Formula | C11H8F3NO3 |
| Molecular Weight | 259.18 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-Oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid.
4-Oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid (CAS 296272-06-5) is a high-purity analytical reference standard with the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol.
Structurally, 4-Oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid (C11H8F3NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 259.18 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.
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.
As a certified reference material (CRM), 4-Oxo-4-((3-(trifluoromethyl)phenyl)amino)but-2-enoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H8F3NO3 |
| Molecular Weight | 259.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Oxo Standards
- Ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyrimidine-6-carboxylate (CAS 1009662-98-9)
- Ethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate (CAS 1018053-40-1)
- 3-(3-(Trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid (CAS 1019115-17-3)
- 3-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CAS 109888-65-5)
- Ethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CAS 1119429-11-6)
- N-[3-(Trifluoromethyl)phenyl]maleamic acid (CAS 116401-44-6)
- Ethyl 7-(trifluoromethyl)pyrazolo-[1,5-a]pyrimidine-6-carboxylate (CAS 1245807-86-6)
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Recommended Standards
- 4-Oxo-4-((2-(trifluoromethyl)phenyl)amino)but-2-enoic acid (CAS 306278-78-4)
- 5-(Trifluoromethoxy)-1H-indole-2-carbohydrazide (CAS 685120-14-3)
- 3-Methyl-5-(trifluoromethoxy)-1H-indole-2-carboxylic acid (CAS 2059954-21-9)
- 5-Ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS 876708-62-2)
- 3-Hydroxy-1-phenyl-2-buten-1-one (CAS 33951-43-8)
- 2,3-Dimethoxy Quinoline (CAS 172605-01-5)
- Fmoc-His(1-Mtt)-OH (CAS 133367-34-7)
- N-allyl-1-tosylpiperidine-4-carboxamide (CAS 433689-41-9)
- 7-Bromo-5-chloro-1-methyl-1H-imidazo[4,5-b]pyridine (CAS 1823927-87-2)
- 3H-Imidazo[4,5-c]pyridine-6-carboxylic acid (CAS 1211590-38-3)
- 6-Hydroxy-7-methoxybenzofuran-3(2H)-one (CAS 69151-94-6)
- 3-Aminopyrazolo[1,5-α]pyrimidine (CAS 232600-93-0)
- Des-3-pyridylmethyl Indinavir (CAS 150323-38-9)
- Semaglutide impurity 195 (CAS CATO-C4X-2226195)
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