2-Methyl-4-(4-(o-tolyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol CAS 431069-50-0
| CAS No. | 431069-50-0 |
| Molecular Formula | C18H15F3N2O2 |
| Molecular Weight | 348.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C18H15F3N2O2, 2-Methyl-4-(4-(o-tolyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 348.32 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
2-Methyl-4-(4-(o-tolyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol (CAS 431069-50-0), molecular formula C18H15F3N2O2 and molecular weight 348.32 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C18H15F3N2O2 |
| Molecular Weight | 348.32 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 |
Recommended Standards
- {1-Methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methanol (CAS 318247-68-6)
- 4-Ethyl-6-(4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol (CAS 303095-12-7)
- (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(6-(trifluoromethyl)pyridin-3-yl)propanoate (CAS 944805-57-6)
- 4-Methyl-5-(3-(trifluoromethyl)benzoyl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one (CAS 866156-61-8)
- 2-Amino-4-((4-methoxybenzyl)thio)-6-(thiophen-2-yl)pyrimidine-5-carbonitrile (CAS 478067-20-8)
- Phenyl N-(methylsulfonyl)-N-phenylcarbamate (CAS 886362-26-1)
- 2-Chloro-n-[2-(2,4-dichlorophenyl)pentyl]acetamide (CAS 733796-09-3)
- 2-(4-Bromophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 35496-21-0)
- Chlormethiazole hydrochloride, 98% (CAS 6001-74-7)
- (S)-tert-Butyl 3-((5-chloropyrimidin-2-yl)amino)pyrrolidine-1-carboxylate (CAS 1261235-30-6)
- Bicyclohexyl(trifluoromethanesulfonyloxy)borane (CAS 145412-54-0)
- 4-[(2Z)-3-(2,4-Dichlorophenyl)prop-2-enoyl]phenyl 2,2-dimethylpropanoate (CAS 298215-30-2)
- 2-amino-N-ethyl-5-fluoro-N-methylbenzene-1-sulfonamide (CAS 1179099-15-0)
- Semaglutide impurity 249 (CAS CATO-C4X-2226249)
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