2-[4-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-benzylidene]-malonic acid diethyl ester CAS 1311279-32-9
| CAS No. | 1311279-32-9 |
| Molecular Formula | C20H17ClF3NO4 |
| Molecular Weight | 427.80 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 2-[4-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-benzylidene]-malonic acid diethyl ester.
2-[4-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-benzylidene]-malonic acid diethyl ester (CAS 1311279-32-9), molecular formula C20H17ClF3NO4 and molecular weight 427.80 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H17ClF3NO4, 2-[4-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-benzylidene]-malonic acid diethyl ester contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 427.80 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), 2-[4-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-benzylidene]-malonic acid diethyl ester 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 | C20H17ClF3NO4 |
| Molecular Weight | 427.80 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 3-Chloro-4,5-bis((4-chlorobenzyl)thio)pyridazine (CAS 5589-92-4)
- 4-Chloro-2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-6-[(phenylsulfanyl)methyl]pyrimidine (CAS 860609-64-9)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-17-0)
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-1-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-11-3)
- (2Z)-2-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-4-(methylsulfanyl)-3-oxobutanenitrile (CAS 1164480-54-9)
- (2Z)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-{[(3-methoxyphenyl)amino]methylidene}-3-oxobutanenitrile (CAS 251310-64-2)
- Ethyl 2-((2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-fluoropyrimidin-4-yl)sulfonyl)acetate (CAS 1823184-21-9)
- 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 4-methylbenzoate (CAS 338415-44-4)
Recommended Standards
- 2,5-Dibromo-3,4-bis(bromomethyl)thiophene (CAS 22025-28-1)
- α,α,α′,α′-Tetrabromo-o-xylene (CAS 13209-15-9)
- Copper, [4-[bis(2-pyridinylmethyl)amino]butanoato-N,N',N'']bromo (CAS 140160-00-5)
- Regadenoson Impurity N1 (CAS 16321-99-6)
- Methyl 4-Cyano-2-fluorobenzoate (CAS 175596-01-7)
- 3-Hydroxymethyl Maraviroc (CAS 1217535-55-1)
- (S)-2-(2-((4,4,4-trifluorobutyl)sulfonyl)ethyl)pyrrolidine (CAS 1670272-83-9)
- N-(4-bromophenyl)-6-hydroxy-1-methyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide (CAS 338774-79-1)
- 2-(Methylamino)-4-(2-propyl-1h-imidazol-1-yl)butanamide (CAS 1341313-39-0)
- 4-(4-Chloro-3-methylphenyl)-2-hydrazinylthiazole (CAS 886495-68-7)
- 2-(6-Hydroxythymoxy)ethyl dimethylamine hydrochloride (CAS 16809-53-3)
- Methyl 3-iodo-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylate (CAS 1428794-86-8)
- 3-Sulfated Lewis A (CAS 153088-71-2)
- Semaglutide impurity 210 (CAS CATO-C4X-2226210)
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