| CAS No. | 1029636-11-0 |
| Molecular Formula | C15H6ClF13N2 |
| Molecular Weight | 496.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 4-Chloro-5-phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1h-pyrazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-Chloro-5-phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1h-pyrazole (CAS 1029636-11-0), a certified reference material (molecular formula C15H6ClF13N2, MW 496.65 g/mol) for analytical method development and quality control.
Structurally, 4-Chloro-5-phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1h-pyrazole (C15H6ClF13N2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, 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 496.65 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
| Molecular Formula | C15H6ClF13N2 |
| Molecular Weight | 496.65 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 |