1-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one CAS 338403-18-2
| CAS No. | 338403-18-2 |
| Molecular Formula | C11H6F6N2O2 |
| Molecular Weight | 312.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (CAS 338403-18-2) is a high-purity analytical reference standard with the molecular formula C11H6F6N2O2 and a molecular weight of 312.17 g/mol.
The molecular framework of 1-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one (C11H6F6N2O2) 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C11H6F6N2O2 |
| Molecular Weight | 312.17 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoromethoxy Standards
- 2-(4-(Trifluoromethoxy)-3-nitrobenzoyl)pyridine (CAS 1261624-96-7)
- 2-(4-(Trifluoromethoxy)phenyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one (CAS 1450790-56-3)
- (4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acid (CAS 870778-97-5)
- 2-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid (CAS 849062-07-3)
- 3-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid (CAS 849062-06-2)
- Methyl 2-(4-(3-(trifluoromethoxy)phenyl)pyridin-2-yl)acetate (CAS 1853165-71-5)
- 3-[4-(trifluoromethoxy)benzenesulfonamido]propanoic acid (CAS 781626-95-7)
- 2-(4-(Trifluoromethoxy)phenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CAS 1253924-71-8)
Recommended Standards
- (2-Iodophenyl)(phenyl)sulfane (CAS 2236-42-2)
- 2-(2,4-Dichlorophenyl)-7-methyl-4H-thieno[3,2-d][1,3]oxazin-4-one (CAS 866151-46-4)
- (2,6-Difluoro-3-iodophenyl)trimethylsilane (CAS 746630-31-9)
- 2-(Benzyloxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine (CAS 2077892-11-4)
- 1-Phenylhexan-2-ol (CAS 25755-72-0)
- 2H-Indeno[4,5-h]isoquinoline (CAS 522-43-0)
- 2-(1-(Methylsulfonyl)cyclopropyl)acetic acid (CAS 1887209-88-2)
- 2-(6-Amino-[3,4'-bipyridin]-5-yl)acetic acid (CAS 1227580-16-6)
- 5-(Aminomethyl)-2-chlorophenol (CAS 943816-63-5)
- Oct-1-en-1-ylboronic acid (CAS 214907-14-9)
- Fulvestrant EP Impurity A (CAS 407577-53-1)
- 3-[1-(1,3-Thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine trihydrochloride (CAS 1987680-80-7)
- 2-[(3-Phenoxyphenyl)methylene]-1H-indene-1,3(2H)-dione (CAS 400833-57-0)
- Semaglutide impurity 63 (CAS CATO-C4X-222663)
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