3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one CAS 35867-91-5
| CAS No. | 35867-91-5 |
| Molecular Formula | C21H14ClN5O2 |
| Molecular Weight | 403.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one (CAS 35867-91-5), a certified reference material (molecular formula C21H14ClN5O2, MW 403.82 g/mol) for analytical method development and quality control.
The molecular framework of 3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one (C21H14ClN5O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
As a certified reference material (CRM), 3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H14ClN5O2 |
| Molecular Weight | 403.82 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1967 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Chloro Standards
- N-(9-Chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamide (CAS 183721-15-5)
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Recommended Standards
- 2-(4-Chlorophenyl)-N-(4-nitrophenyl)quinoline-4-carboxamide (CAS 332157-08-1)
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- 2-(4-Chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide (CAS 332157-42-3)
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- 1,5-Dibromo-3-fluoro-2-nitrobenzene (CAS 1416070-81-9)
- N-[1-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide (CAS 737807-13-5)
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- N-Benzylnaphthalen-2-amine (CAS 13672-18-9)
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