3-(trans-(1r,3r)-1-(4-Chlorophenyl)-3-fluorocyclobutyl)-4,5-dicyclopropyl-4H-1,2,4-triazole CAS 633317-53-0
| CAS No. | 633317-53-0 |
| Molecular Formula | C18H19ClFN3 |
| Molecular Weight | 331.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-(trans-(1r,3r)-1-(4-Chlorophenyl)-3-fluorocyclobutyl)-4,5-dicyclopropyl-4H-1,2,4-triazole (C18H19ClFN3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 3-(trans-(1r,3r)-1-(4-Chlorophenyl)-3-fluorocyclobutyl)-4,5-dicyclopropyl-4H-1,2,4-triazole (CAS 633317-53-0), a certified reference material (molecular formula C18H19ClFN3, MW 331.81 g/mol) for analytical method development and quality control.
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 | C18H19ClFN3 |
| Molecular Weight | 331.81 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 |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- (4-Chloro-3-fluorophenyl)(4-(piperidin-1-ylmethyl)phenyl)methanone (CAS 898775-20-7)
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- (4-Chloro-3-fluorophenyl)(2-(piperidin-1-ylmethyl)phenyl)methanone (CAS 898773-42-7)
- 3-Chloro-4-fluoro-3-piperidinomethyl benzophenone (CAS 898793-28-7)
- (E)-3-((4-chlorophenyl)amino)-1-(4-(3-fluoropropoxy)phenyl)prop-2-en-1-one (CAS 477889-20-6)
- 1-Acetylpiperidine-2-carbaldehyde (CAS 1108739-15-6)
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