2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide CAS 339106-89-7
| CAS No. | 339106-89-7 |
| Molecular Formula | C17H12ClF3N4O2 |
| Molecular Weight | 396.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide (CAS 339106-89-7) is a high-purity analytical reference standard with the molecular formula C17H12ClF3N4O2 and a molecular weight of 396.75 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 396.75 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H12ClF3N4O2 |
| Molecular Weight | 396.75 g/mol |
| Appearance | Pale yellow to 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) | 12.0 |
| 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
- (2E)-3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-2-cyanobut-2-enamide (CAS 303153-06-2)
- [(3Z)-5-Chloro-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-indol-3-ylidene]amino acetate (CAS 477864-51-0)
- {3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl}(phenyl)methyl acetate (CAS 861211-79-2)
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- (S)-2-((4-Chloro-6-((4-nitrophenyl)amino)-1,3,5-triazin-2-yl)amino)pentanedioic acid (CAS 61955-61-1)
- N-{[2-chloro-6-(1H-pyrrol-1-yl)phenyl]methyl}-3-fluoro-4-(trifluoromethyl)benzamide (CAS 866043-39-2)
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- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860785-30-4)
Recommended Standards
- 1-(4-Chlorobenzyl)-3-(3-(trifluoromethyl)benzyl)imidazolidine-2,4,5-trione (CAS 478262-69-0)
- 3-(2-Chlorophenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (CAS 309740-96-3)
- 4-Cyanophenyl 3-(4-chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoate (CAS 866039-30-7)
- [1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl]methyl N-[3-(trifluoromethyl)phenyl]carbamate (CAS 338419-13-9)
- Raspberry Ketone Glucoside (CAS 38963-94-9)
- 2-Chloro-3-hexylthiophene (CAS 817181-75-2)
- tert-Butyl N-{[(4-ethoxyphenyl)carbamoyl]methyl}carbamate (CAS 1387524-26-6)
- (S)-1-(4-Methoxyphenyl)ethanamine hydrochloride (CAS 574744-39-1)
- 4-Bromomethyl-1-isopropoxy-2-nitrobenzene (CAS 1094273-14-9)
- 2-((Tetrahydro-2H-pyran-4-yl)oxy)pyridin-3-amine (CAS 1211758-68-7)
- 3-Methyl-2-(p-tolyl)quinoline-4-carboxylic acid (CAS 43071-46-1)
- Acetohydrazide (CAS 1068-57-1)
- Methyl 1,4-diazabicyclo[2.2.2]Octane-2-carboxylate (CAS 29924-68-3)
- Semaglutide impurity 76 (CAS CATO-C4X-222676)
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