4-Nitro-3-perfluorohexyl-5-phenyl-1H-pyrazole CAS 1029636-56-3
| CAS No. | 1029636-56-3 |
| Molecular Formula | C15H6F13N3O2 |
| Molecular Weight | 507.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 507.21 g/mol gives 4-Nitro-3-perfluorohexyl-5-phenyl-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 4-Nitro-3-perfluorohexyl-5-phenyl-1H-pyrazole (CAS 1029636-56-3), a certified reference material (molecular formula C15H6F13N3O2, MW 507.21 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, 4-Nitro-3-perfluorohexyl-5-phenyl-1H-pyrazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 507.21 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.
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-perfluorohexyl-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 | C15H6F13N3O2 |
| Molecular Weight | 507.21 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.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Nitro Standards
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Recommended Standards
- 4-Chlorobenzyl (5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl)carbamate (CAS 956763-44-3)
- (5Z)-3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylidene]-2,5-dihydrofuran-2-one (CAS 338396-72-8)
- Adenosine Triphosphate (CAS 56-65-5)
- 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate) (CAS 64145-28-4)
- 4-(Difluoromethyl)-3-methyl-2-propyl-2H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS 1018126-43-6)
- 3-Benzyloxy-2-chloro-pyridine (CAS 108082-72-0)
- 1,1,1-trifluorohex-5-yn-3-amine hydrochloride (CAS 1909308-81-1)
- tert-Butyl 4-hydroxy-2,3-dihydro-1H-isoindole-2-carboxylate (CAS 871013-92-2)
- (3-Bromo-2,5-dimethylphenyl)(methyl)sulfane (CAS 2169320-08-3)
- (2-((tert-Butoxycarbonyl)amino)-7-chlorobenzo[d]thiazol-4-yl)boronic acid (CAS 2803281-67-4)
- 3-Hydroxymethylmorpholine (CAS 106910-83-2)
- 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-methylpropanenitrile (CAS 338754-02-2)
- (6R,7S)-7-(Benzoylamino)-3-(chloromethyl)-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Diphenylmethyl Ester (CAS 1353648-24-4)
- Smac-N7 Peptide (CAS 401913-57-3)
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