5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole CAS 648859-77-2
| CAS No. | 648859-77-2 |
| Molecular Formula | C16H9ClF6N4O |
| Molecular Weight | 422.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (C16H9ClF6N4O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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 422.71 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.
5-{2-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]vinyl}-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CAS 648859-77-2), molecular formula C16H9ClF6N4O and molecular weight 422.71 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 | C16H9ClF6N4O |
| Molecular Weight | 422.71 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.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related chloro Standards
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-72-6)
- 3-Chloro-2-({4-[(4-nitrophenyl)methoxy]phenyl}methyl)-5-(trifluoromethyl)pyridine (CAS 338402-10-1)
- 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-(1H-indol-3-yl)pyrrolidine-2,5-dione (CAS 338962-80-4)
- 3-{[2-chloro-6-(1H-imidazol-1-yl)phenyl]methyl}-1-[3-(trifluoromethyl)benzoyl]urea (CAS 866042-66-2)
- 4-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonyl)morpholine (CAS 344277-88-9)
- 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}phenyl N,N-dimethylsulfamate (CAS 338396-26-2)
- 4-Chloro-2-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl N,N-dimethylsulfamate (CAS 338406-02-3)
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Recommended Standards
- 3-((4-Chlorophenyl)sulfonyl)-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide (CAS 339275-80-8)
- Ethyl N-(2-chlorophenyl)-N-((2,5-dichlorophenyl)sulfonyl)glycinate (CAS 866143-45-5)
- 2-(4-Bromo-3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine (CAS 2425604-94-8)
- N-(4-chlorophenyl)-3-((3,4-dichlorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide (CAS 338424-07-0)
- (E)-3-([1,1'-biphenyl]-4-yl)-1-(4-aminophenyl)prop-2-en-1-one (CAS 899588-25-1)
- (S)-2-Amino-4-methyl-N-((R)-1-phenylethyl)pentanamide (CAS 2137029-77-5)
- 16696-91-6 Carbonochloridodithioic acid methyl (CAS 16696-91-6)
- tert-Butyl (2,6-difluoro-3-nitrophenyl)carbamate (CAS 535170-17-3)
- N1-(2-(Dimethylamino)-2-(thiophen-3-yl)ethyl)-N2-(2-methoxyphenyl)oxalamide (CAS 946200-09-5)
- 6-Fluorobenzo[e][1,2,4]triazin-3-amine (CAS 680180-41-0)
- (R)-2-chloro-5-fluoro-3-(pyrrolidin-2-yl)pyridine 2hcl (CAS 1260847-45-7)
- 1,4-Bis(9-phenyl-1,10-phenanthrolin-2-yl)benzene (CAS 767319-03-9)
- Venetoclax Impurity 25 (CAS 2097938-69-5)
- Neuropeptide Y, human (CAS 98264-90-5)
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