6-Methyl-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazin-5(2H)-one CAS 339102-74-8
| CAS No. | 339102-74-8 |
| Molecular Formula | C11H8F3N3O |
| Molecular Weight | 255.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 6-Methyl-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazin-5(2H)-one (C11H8F3N3O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
6-Methyl-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazin-5(2H)-one (CAS 339102-74-8) is a high-purity analytical reference standard with the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol.
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.
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 | C11H8F3N3O |
| Molecular Weight | 255.20 g/mol |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 6-(3-(Trifluoromethyl)phenyl)-1,3,5-triazine-2,4-diamine (CAS 30508-78-2)
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- 5-Nitrobenzo[b]thiophene-2-carboxylic acid 1,1-dioxide (CAS 475575-63-4)
- Ethyl 3-(3-fluoro-4-nitrophenyl)-3-oxopropanoate (CAS 939807-28-0)
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- 3,5-Dichloro-4-(pyrrolidin-1-yl)benzoic acid (CAS 650623-54-4)
- 6-Methoxy-2,3-dihydrobenzofuran-2-carboxylic acid (CAS 41910-91-2)
- 3-(Benzylthio)-1,2,4-triazin-5(4H)-one (CAS 90946-15-9)
- Perchlorocyclopentadiene- (CAS 475274-93-2)
- (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(3,5-dimethylisoxazol-4-yl)phenyl)propanoic acid (CAS 1381790-25-5)
- Methyl (R)-2-(5-(trifluoromethoxy)-2,3-dihydrobenzofuran-3-yl)acetate (CAS 2831919-27-6)
- 5-(2,3,4-Trifluorophenyl)isoxazol-3-amine (CAS 1533721-87-7)
- 8-Phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline (CAS 302788-80-3)
- Tetrapeptide-3 (CAS 827306-97-8)
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