4-(4-Phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol CAS 394237-55-9
| CAS No. | 394237-55-9 |
| Molecular Formula | C16H11F3N2O2 |
| Molecular Weight | 320.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-(4-Phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol (CAS 394237-55-9), molecular formula C16H11F3N2O2 and molecular weight 320.27 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(4-Phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol (C16H11F3N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 320.27 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 4-(4-Phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol 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 | C16H11F3N2O2 |
| Molecular Weight | 320.27 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 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- tert-Butyl (2-(bis(3-aminopropyl)amino)ethyl)carbamate (CAS 500904-24-5)
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- N-(6-(4-Methylpiperidin-1-yl)pyrimidin-4-yl)benzamide (CAS 1706108-92-0)
- Neuropeptide Y (2-36) (human, rat) trifluoroacetate salt (CAS 123139-39-9)
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