3(5)-(Nonafluoro-1-butyl)-1-(nonafluoropentanoyl)-5(3)-(trifluoromethyl)pyrazole CAS 261521-38-4
| CAS No. | 261521-38-4 |
| Molecular Formula | C13HF21N2O |
| Molecular Weight | 600.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3(5)-(Nonafluoro-1-butyl)-1-(nonafluoropentanoyl)-5(3)-(trifluoromethyl)pyrazole (CAS 261521-38-4), a certified reference material (molecular formula C13HF21N2O, MW 600.13 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 3(5)-(Nonafluoro-1-butyl)-1-(nonafluoropentanoyl)-5(3)-(trifluoromethyl)pyrazole is typically off-white to pale yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 600.13 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C13HF21N2O |
| Molecular Weight | 600.13 g/mol |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Nonafluoro Standards
- 1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester (CAS 118334-96-6)
- 231285-84-0 3,5-Bis(nonafluoro-1-butyl)-1-(nonafluoropentanoyl)pyrazole MFCD00153664 (CAS 231285-84-0)
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- 1,1,1,2,2,3,3,4,4-Nonafluoro-5-iodopentane (CAS 2253-14-7)
Recommended Standards
- 1-Trifluoroacetyl-3,5-bis(nonafluorobutyl)pyrazole (CAS 261761-06-2)
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- Venetoclax Impurity 27 (CAS CATO-C4X-249527)
- 1,1-Dimethylethyl-N-(2-fluoro-4-iodophenyl)-N-[[(2-fluoro-4-iodophenyl)amino]carbonyl]carbamate (CAS 1033201-49-8)
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- (S)-N-((S)-1-((tert-Butyldimethylsilyl)oxy)but-3-en-2-yl)-2-methylpropane-2-sulfinamide (CAS 926660-07-3)
- 18-Ethynyl-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine (CAS 92710-95-7)
- FLAG Epitope Peptide (CAS 98849-88-8)
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