3,5-Dibromo-1-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-1h-1,2,4-triazole CAS 1240574-12-2
| CAS No. | 1240574-12-2 |
| Molecular Formula | C10H5Br2F4N3 |
| Molecular Weight | 402.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3,5-Dibromo-1-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-1h-1,2,4-triazole (CAS 1240574-12-2) is a high-purity analytical reference standard with the molecular formula C10H5Br2F4N3 and a molecular weight of 402.97 g/mol.
The molecular framework of 3,5-Dibromo-1-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-1h-1,2,4-triazole (C10H5Br2F4N3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine 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.
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 | C10H5Br2F4N3 |
| Molecular Weight | 402.97 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
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- 2-((5-Bromo-4-methylpyridin-2-yl)amino)-2-methylpropan-1-ol (CAS 1220030-09-0)
- 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CAS 1152642-17-5)
- 2-(Furan-2-yl)-6-nitroimidazo[1,2-a]pyridine (CAS 904818-21-9)
- Butylphthalide Impurity 77 (CAS CATO-C4X-181377)
- Autocamtide-2-Related Inhibitory Peptide TFA (CAS 167114-91-2（free base）)
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