3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-phenyl-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione CAS 439110-90-4
| CAS No. | 439110-90-4 |
| Molecular Formula | C17H9ClF3N3O3 |
| Molecular Weight | 395.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-phenyl-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 439110-90-4), molecular formula C17H9ClF3N3O3 and molecular weight 395.72 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-5-phenyl-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (C17H9ClF3N3O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 395.72 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C17H9ClF3N3O3 |
| Molecular Weight | 395.72 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 2-[(E)-2-[(4-Chloro-3-nitrophenyl)methylidene]hydrazin-1-yl]-3-(trifluoromethyl)quinoxaline (CAS 343372-40-7)
- 2-(4-Chloro-2-methylphenoxy)-2,2-difluoro-N-(4-(trifluoromethoxy)phenyl)acetamide (CAS 339010-98-9)
- 2-Chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}benzoic acid (CAS 745798-18-9)
- N-(4-chloro-3-nitrophenyl)-2-((4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 329778-13-4)
- Ethyl 2-((2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-fluoropyrimidin-4-yl)thio)acetate (CAS 1823182-35-9)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-phenethylpyrimidine-2,4(1H,3H)-dione (CAS 251310-60-8)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxyphenyl)-1H-pyrrole-2-carboxamide (CAS 338956-38-0)
- 2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]-1,4-dihydronaphthalene-1,4-dione (CAS 303152-84-3)
Recommended Standards
- 5-(4-Chlorophenoxy)-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-6-carboxylic acid (CAS 921620-14-6)
- N,N-Dibutylstearamide (CAS 5831-88-9)
- (R)-O,O-Bis(tert-butyldimethlsilyl) Phenylephrine (CAS 1217862-07-1)
- 5α-Cholestan-3β-ol-d (CAS 84061-69-8)
- 2-Chloro-n-[4-(2,6-dimethylmorpholin-4-yl)phenyl]acetamide (CAS 866150-12-1)
- 4-(tert-Butyl)-N-[3-chloro-4-oxonaphthalen-1(4H)-ylidene]benzenesulfonamide (CAS 518332-79-1)
- 9-Bromo-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (CAS 882517-92-2)
- 5-Fluorobicyclo[3.2.2]Nonan-1-amine (CAS 2091810-58-9)
- tert-butyl 3-fluoro-3-methyl-4-oxo-piperidine-1-carboxylate (CAS 1612176-71-2)
- Benzyl 3-(1-(tert-butoxycarbonyl)azetidin-3-yl)pyrrolidine-1-carboxylate (CAS 1445951-73-4)
- 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetonitrile (CAS 1311317-21-1)
- 6-Methoxy-1-naphthol (CAS 22604-07-5)
- n-(4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide (CAS 1082491-76-6)
- Semaglutide impurity 58 (CAS CATO-C4X-222658)
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