3,5-Bis(difluoromethyl)-1H-pyrazole CAS 77614-79-0
| CAS No. | 77614-79-0 |
| Molecular Formula | C5H4F4N2 |
| Molecular Weight | 168.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 168.09 g/mol gives 3,5-Bis(difluoromethyl)-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3,5-Bis(difluoromethyl)-1H-pyrazole (CAS 77614-79-0), a certified reference material (molecular formula C5H4F4N2, MW 168.09 g/mol) for analytical method development and quality control.
Structurally, 3,5-Bis(difluoromethyl)-1H-pyrazole (C5H4F4N2) contains a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 168.09 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C5H4F4N2 |
| Molecular Weight | 168.09 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Bis Standards
- 5-(Difluoromethyl)-1H-indazole (CAS 1204298-50-9)
- 7-(Difluoromethyl)-1H-indazole (CAS 1204298-72-5)
- 6-(difluoromethyl)-1H-indazole (CAS 1204298-78-1)
- 5-(Difluoromethyl)-1H-pyrrolo[3,2-b]pyridine (CAS 1261458-67-6)
- 4-(Difluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1261488-21-4)
- 6-(Difluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1261488-22-5)
- 6-(Difluoromethyl)-1H-pyrrolo[3,2-b]pyridine (CAS 1261563-77-2)
- 2-(Difluoromethyl)-1H-pyrrolo[3,2-b]pyridine (CAS 1261770-88-0)
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