4-(4-(Benzyloxy)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 860786-71-6
| CAS No. | 860786-71-6 |
| Molecular Formula | C22H16ClF3N4O2 |
| Molecular Weight | 460.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 460.84 g/mol gives 4-(4-(Benzyloxy)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(4-(Benzyloxy)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-71-6), molecular formula C22H16ClF3N4O2 and molecular weight 460.84 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 4-(4-(Benzyloxy)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 460.84 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.
CATO manufactures 4-(4-(Benzyloxy)phenyl)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C22H16ClF3N4O2 |
| Molecular Weight | 460.84 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.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(3-((4-fluorobenzyl)oxy)thiophen-2-yl)hydrazine-1-carboxamide (CAS 303147-93-5)
- Methyl 4-{[(1E)-2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-ethoxy-3-oxoprop-1-en-1-yl]amino}benzoate (CAS 338966-74-8)
- tert-Butyl 4-hydroxy-2-phenylbutan-2-ylcarbamate (CAS 1255574-56-1)
- 5-(Diethylamino)-2-hydroxybenzaldehyde (CAS 58537-79-4)
- (S)-2-bromo-1-(3-cyclopropyl-7-fluoro-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)ethan-1-one (CAS 2379411-65-9)
- 1-(tert-Butoxy)-3-cyclopropoxy-5-(trifluoromethyl)benzene (CAS 1243440-48-3)
- Duloxetine Maleate (CAS 116817-86-8)
- 1-Benzyl-5-fluoro-1H-indole-3-carbonitrile (CAS 1426847-71-3)
- 2-(3-{[(tert-butoxy)carbonyl]amino}-2-oxo-1,2-dihydropyridin-1-yl)acetic acid (CAS 882847-09-8)
- 2-[(3-Chlorobenzyl)oxy]-3-methoxybenzoyl chloride (CAS 1160250-15-6)
- 2-(2-Aminopropan-2-yl)-6-methylpyrimidin-4(3H)-one (CAS 1271708-59-8)
- Copper Peptide ·2 acetate salt (CAS 130120-57-9)
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