4-Nitro-3-perfluorobutyl-5-phenyl-1H-pyrazole CAS 1240049-78-8
| CAS No. | 1240049-78-8 |
| Molecular Formula | C13H6F9N3O2 |
| Molecular Weight | 407.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-Nitro-3-perfluorobutyl-5-phenyl-1H-pyrazole (C13H6F9N3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 407.19 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.
4-Nitro-3-perfluorobutyl-5-phenyl-1H-pyrazole (CAS 1240049-78-8), molecular formula C13H6F9N3O2 and molecular weight 407.19 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-Nitro-3-perfluorobutyl-5-phenyl-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 | C13H6F9N3O2 |
| Molecular Weight | 407.19 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- Sulfuric acid compound with 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one (CAS 288607-13-6)
- 2-Methyl-3-(1H-pyrrol-1-yl)aniline (CAS 137352-75-1)
- Urofollitropin (CAS 97048-13-0)
- 2-Anilino-5-nitrobenzonitrile (CAS 16588-03-7)
- 3-Ethyl-6-iodoquinazolin-4(3H)-one (CAS 1480138-28-0)
- 2-((1-Methylpiperidin-4-yl)methoxy)ethanamine (CAS 1353957-28-4)
- Ethyl 4-(cyclopropylamino)cyclohexanecarboxylate (CAS 1083048-96-7)
- (S)-2-(3,5-Dimethylphenyl)pyrrolidine hydrochloride (CAS 1245649-28-8)
- 4-Bromo-2-(methylsulfonyl)-1-(trifluoromethoxy)benzene (CAS 1820614-61-6)
- Tirzepatide Impurity 36 (CAS CATO-C4X-324036)
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