N-(3-Chloro-4-fluorophenyl)-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine CAS 899978-91-7
| CAS No. | 899978-91-7 |
| Molecular Formula | C12H10ClFN6 |
| Molecular Weight | 292.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies N-(3-Chloro-4-fluorophenyl)-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine (CAS 899978-91-7), a certified reference material (molecular formula C12H10ClFN6, MW 292.70 g/mol) for analytical method development and quality control.
The molecular framework of N-(3-Chloro-4-fluorophenyl)-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine (C12H10ClFN6) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/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.
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 | C12H10ClFN6 |
| Molecular Weight | 292.70 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 6 |
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Recommended Standards
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- 1-(5-Bromopyrimidin-2-yl)cyclohexan-1-amine (CAS 1341745-05-8)
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- N-EThyl-3-hydroxy-5-nitrobenzamide (CAS 1394933-34-6)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com