4-((2,6-Dichlorobenzyl)oxy)-5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole CAS 318949-56-3
| CAS No. | 318949-56-3 |
| Molecular Formula | C18H13Cl2F3N2O |
| Molecular Weight | 401.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 401.21 g/mol gives 4-((2,6-Dichlorobenzyl)oxy)-5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-((2,6-Dichlorobenzyl)oxy)-5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole (CAS 318949-56-3), molecular formula C18H13Cl2F3N2O and molecular weight 401.21 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-((2,6-Dichlorobenzyl)oxy)-5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole (C18H13Cl2F3N2O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 4-((2,6-Dichlorobenzyl)oxy)-5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole 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 | C18H13Cl2F3N2O |
| Molecular Weight | 401.21 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Dichlorobenzyl Standards
- 4-((2,4-Dichlorobenzyl)oxy)-5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole (CAS 400086-53-5)
- 1-(3,4-Dichlorobenzyl)-4-(methylthio)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile (CAS 478031-68-4)
- Methyl 4-(3-(2,6-dichlorobenzyl)-2-methyl-4-oxopyridin-1(4H)-yl)benzoate (CAS 339017-46-8)
- 1-(6-(2,4-Dichlorobenzyl)pyridazin-3-yl)-4-(thiophen-2-yl)-1H-pyrazol-5-amine (CAS 321385-78-8)
- 2-((2,4-Dichlorobenzyl)thio)-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 587008-96-6)
- 2-((2,6-Dichlorobenzyl)thio)-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 578005-54-6)
- 2-((3,4-Dichlorobenzyl)thio)-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 573670-02-7)
- 2-(1-(2,4-Dichlorobenzyl)-2-oxo-1,2-dihydropyridine-3-carbonyl)-N-ethylhydrazine-1-carbothioamide (CAS 242471-89-2)
Recommended Standards
- 2-(Cyclohexylmethyl)phenol (CAS 5899-19-4)
- 2-(4-Bromo-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxy)acetic acid (CAS 870809-73-7)
- 4-Iodo-N-tosylbenzamide (CAS 326888-45-3)
- 1-(4-Bromophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazole-5-carboxylic acid (CAS 618383-03-2)
- N-(4-Cyanophenyl)-2-(4-hydroxyphenyl)acetamide (CAS 886362-48-7)
- 5-Chloro-3-methoxybenzofuran-2-carboxylic acid (CAS 406192-87-8)
- Desmethyl Boc-Cyclobenzaprine (CAS 1346604-04-3)
- tert-Butyl(2,5-dichlorophenoxy)dimethylsilane (CAS 188645-79-6)
- 2-Ethyl 6-methyl 1H-indole-2,6-dicarboxylate (CAS 916792-63-7)
- Tert-butyl (3-hydroxy-7-methyl-1,6-naphthyridin-2-yl)carbamate (CAS 2435613-39-9)
- N-(2-Fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CAS 1092346-30-9)
- 4-Chloro-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide (CAS 38250-73-6)
- N-(2,4-Dimethylphenyl)-4-methyl-3-morpholinothiazol-2(3H)-imine hydrochloride (CAS 1180039-80-8)
- Semaglutide impurity 268 (CAS CATO-C4X-2226268)
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