4-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methyl}-1,2-dihydrophthalazin-1-one CAS 339008-41-2
| CAS No. | 339008-41-2 |
| Molecular Formula | C21H14ClF3N4O2 |
| Molecular Weight | 446.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methyl}-1,2-dihydrophthalazin-1-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methyl}-1,2-dihydrophthalazin-1-one (CAS 339008-41-2), a certified reference material (molecular formula C21H14ClF3N4O2, MW 446.81 g/mol) for analytical method development and quality control.
Based on its molecular formula C21H14ClF3N4O2, 4-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methyl}-1,2-dihydrophthalazin-1-one contains a steroid 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 446.81 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C21H14ClF3N4O2 |
| Molecular Weight | 446.81 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related chloro Standards
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4-(4-phenoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860784-88-9)
- 4-(((3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)amino)methyl)phthalazin-1(2H)-one (CAS 242797-12-2)
- 2-[4-chloro-3-(trifluoromethyl)benzenesulfonamido]-3-(1h-indol-3-yl)propanoic acid (CAS 1009272-85-8)
- ((4-Chloro-3-(trifluoromethyl)phenyl)sulfonyl)-l-tryptophan (CAS 1212378-69-2)
- N2-{2-[(2-chloro-6-fluorobenzyl)thio]ethyl}-1-(dichloromethyl)indane-2-carboxamide (CAS 647824-87-1)
- 5-chloro-4-iodo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1350375-64-2)
- 2-Chloro-6-fluoro-3,4-bis((4-methoxybenzyl)oxy)benzoic acid (CAS 2637445-13-5)
- 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-[(1E)-{[(4-nitrophenyl)methoxy]amino}methylidene]urea (CAS 321433-41-4)
Recommended Standards
- 2,4,6-Tribromobenzene-1,3,5-tricarboxylic acid (CAS 86216-68-4)
- 3-(2-Chlorophenyl)-5-((2,6-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 443741-19-3)
- ethyl 3-{[2-(aminocarbonyl)-5-(4-chlorophenyl)-3-thienyl]amino}-2-(2,2,2-trifluoroacetyl)acrylate (CAS 648410-16-6)
- 2,4,5-Trichloro-N-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-4-yl)benzenesulfonamide (CAS 338423-23-7)
- 3-(3-Aminopiperidin-1-yl)tetrahydrothiophene 1,1-dioxide (CAS 1248737-06-5)
- 2-(4-Propylphenyl)pyridine (CAS 904707-54-6)
- 1,1'-(Piperazine-1,4-diyl)bis(2-hydroxyethan-1-one) (CAS 79491-89-7)
- 3-[(3-Piperidinylmethoxy)methyl]piperidine dihydrochloride (CAS 1211514-21-4)
- 1-(6-(tert-Butyl)pyridin-3-yl)ethan-1-one (CAS 56029-46-0)
- 1-Benzyl-3-((4-chlorophenyl)sulfonyl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606948-06-5)
- Ethyl 2-(p-tolyl)thiazole-5-carboxylate (CAS 399017-06-2)
- 2-(5-Amino-3-(3-methylfuran-2-yl)-1h-pyrazol-1-yl)ethan-1-ol (CAS 1152966-45-4)
- Avatrombopag Impurity 44 (CAS 570407-63-5)
- Liraglutide Impurity 25 (CAS CATO-C4X-199225)
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