6-[1-(3-Chlorophenyl)-1H-pyrazol-5-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione CAS 477709-54-9
| CAS No. | 477709-54-9 |
| Molecular Formula | C20H13ClF3N5O2 |
| Molecular Weight | 447.80 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 6-[1-(3-Chlorophenyl)-1H-pyrazol-5-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione.
6-[1-(3-Chlorophenyl)-1H-pyrazol-5-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione (CAS 477709-54-9), molecular formula C20H13ClF3N5O2 and molecular weight 447.80 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-[1-(3-Chlorophenyl)-1H-pyrazol-5-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione (C20H13ClF3N5O2) 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 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 447.80 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 6-[1-(3-Chlorophenyl)-1H-pyrazol-5-yl]-4-methyl-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione 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 | C20H13ClF3N5O2 |
| Molecular Weight | 447.80 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 | 5 |
Related Chlorophenyl Standards
- 5-((4-Chlorophenyl)thio)-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 158712-21-1)
- 5-((3-Chlorophenyl)thio)-N-(2,4-difluorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 158712-46-0)
- 2-(3-Chlorophenyl)-6-nitro-1-{[3-(trifluoromethyl)phenyl]methoxy}-1H-1,3-benzodiazole (CAS 303149-40-8)
- 2-(4-Chlorophenyl)-6-nitro-1-((3-(trifluoromethyl)benzyl)oxy)-1H-benzo[d]imidazole (CAS 282523-33-5)
- 2-(4-Chlorophenyl)-6-nitro-1-((4-(trifluoromethyl)benzyl)oxy)-1H-benzo[d]imidazole (CAS 400074-02-4)
- 4-(4-(4-Chlorophenyl)-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine (CAS 476483-79-1)
- (4-chlorophenyl)(3-{[(2,4-dichlorophenyl)sulfanyl]methyl}-1-benzofuran-2-yl)methanone 338411-47-5 KS-000035U8 (CAS 338411-47-5)
- 5-(2-Chlorophenyl)-3-(4-(dimethylamino)phenyl)-2-phenyltetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione (CAS 308101-49-7)
Recommended Standards
- 5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-N'-(thiophene-2-carbonyl)-4,5-dihydroisoxazole-3-carbohydrazide (CAS 338399-57-8)
- Methylene Glycol Bis(2,3-dibromopropyl) Ether (CAS 34446-11-2)
- N-[(1E)-{[(2-chloro-4-fluorophenyl)methoxy]imino}methyl]-2-(4-fluorophenoxy)-4-methoxypyridine-3-carboxamide (CAS 341966-69-6)
- Asciminib Impurity 4 (CAS CATO-C4X-31304)
- 3,5-Dichloro-2-methylmandelic acid (CAS 1803836-50-1)
- o-Phthalaldehyde-d6 (CAS 68234-47-9)
- Boron, [(7R)-7-[[12-(3,5-dimethyl-1H-pyrrol-2-yl-κN)-12-(3,5-dimethyl-2H-pyrrol-2-ylidene-κN)-1-oxododecyl]oxy]-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxidato(2-)]difluoro-, (T-4)- (CAS 1246355-63-4)
- (1S,3R)-3-fluorocyclopentan-1-amine hydrochloride (CAS 932706-21-3)
- 2-(Dimethylamino)isonicotinohydrazide (CAS 77314-49-9)
- Methyl 3-((tert-butoxycarbonyl)amino)-3-phenylpropanoate (CAS 257861-50-0)
- 2-Cyclopropoxy-6-isopropylbenzenesulfonamide (CAS 1243396-18-0)
- 5-(Aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine (CAS 1804608-75-0)
- 3-Chloro-4-isopropoxybenzenesulfonamide (CAS 1094691-30-1)
- RGD-targeted Proapoptotic Peptide trifluoroacetate salt (CAS 2243207-09-0)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com