(E)-4-((2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)amino)-4-oxobut-2-enoic acid CAS 339096-60-5
| CAS No. | 339096-60-5 |
| Molecular Formula | C12H11ClF3N3O3 |
| Molecular Weight | 337.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-4-((2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)amino)-4-oxobut-2-enoic acid (CAS 339096-60-5) is a high-purity analytical reference standard with the molecular formula C12H11ClF3N3O3 and a molecular weight of 337.68 g/mol.
Structurally, (E)-4-((2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)amino)-4-oxobut-2-enoic acid (C12H11ClF3N3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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 337.68 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), (E)-4-((2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)amino)-4-oxobut-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 | C12H11ClF3N3O3 |
| Molecular Weight | 337.68 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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/Cl-containing |
| Nitrogen Atoms | 3 |
Related E Standards
- 2-(2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-methylhydrazine-1-carbonyl)cyclopropane-1-carboxylic acid (CAS 1024308-67-5)
- Methyl 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-5-oxopyrrolidine-3-carboxylate (CAS 339106-08-0)
- 5-(4-Chloro-3-nitrophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole (CAS 1710644-11-3)
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- 5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-4,5-dihydroisoxazole-3-carbohydrazide (CAS 251310-32-4)
- 2-chloro-3-pyridyl 4-(trifluoromethyl)benzene-1-sulphonate (CAS 219930-36-6)
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Recommended Standards
- 4-((6-(Trifluoromethyl)pyridin-2-yl)oxy)benzenesulfonyl chloride (CAS 1210732-06-1)
- N-tert-Butyl-2-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 2377610-51-8)
- 4-((4-(Trifluoromethyl)pyridin-2-yl)oxy)benzenesulfonyl chloride (CAS 1227955-11-4)
- N-(3-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pivalamide (CAS 2121512-86-3)
- 3-(2-Methoxyphenyl)-5-phenylisoxazole (CAS 89263-88-7)
- 5-(Aminomethyl)isoxazole Hydrochloride (CAS 440099-32-1)
- 5,5-Dimethyl-2-propanoylcyclohexane-1,3-dione (CAS 1904-20-7)
- 5-methyl-1,3,4-thiadiazole-2-sulfonamide (CAS 66464-90-2)
- 3-(3-Aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione (CAS 1053078-69-5)
- 3-(3,4-Dimethoxyphenyl)-3H-[1,2,3]triazolo[4,5-b]pyridine (CAS 62052-21-5)
- 1-(Pyrrolidin-3-yl)-1H-1,2,3-triazole hydrochloride (CAS 156113-53-0)
- (3-Bromophenyl)(cyclopentyl)methanamine (CAS 1029593-01-8)
- 5-Bromo-4-(1,3-dioxolan-2-yl)-2-methoxypyridine (CAS 2624416-90-4)
- C-Peptide 1 (rat) (CAS 41475-27-8)
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