4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione CAS 89676-71-1
| CAS No. | 89676-71-1 |
| Molecular Formula | C9H4F3N3O2 |
| Molecular Weight | 243.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures 4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-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.
4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione (CAS 89676-71-1), molecular formula C9H4F3N3O2 and molecular weight 243.14 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 4-(3-(Trifluoromethyl)phenyl)-3H-1,2,4-triazole-3,5(4H)-dione is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 243.14 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.
Physical & Chemical Properties
| Molecular Formula | C9H4F3N3O2 |
| Molecular Weight | 243.14 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Trifluoromethyl Standards
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Recommended Standards
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- Carbidopa EP Impurity B Hydrochloride (CAS 115054-62-1)
- 2,7-Dichloropyrazolo[1,5-a]pyrimidine (CAS 1211535-91-9)
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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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