4-Chloro-5-(4-methoxyphenyl)-3-perfluorobutyl-1H-pyrazole CAS 1029636-18-7
| CAS No. | 1029636-18-7 |
| Molecular Formula | C14H8ClF9N2O |
| Molecular Weight | 426.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Chloro-5-(4-methoxyphenyl)-3-perfluorobutyl-1H-pyrazole (CAS 1029636-18-7), molecular formula C14H8ClF9N2O and molecular weight 426.66 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Chloro-5-(4-methoxyphenyl)-3-perfluorobutyl-1H-pyrazole (C14H8ClF9N2O) 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 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 426.66 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 4-Chloro-5-(4-methoxyphenyl)-3-perfluorobutyl-1H-pyrazole under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C14H8ClF9N2O |
| Molecular Weight | 426.66 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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