1-Butyl-5-chloro-3-(trifluoromethyl)-1H-pyrazole CAS 1479534-03-6
| CAS No. | 1479534-03-6 |
| Molecular Formula | C8H10ClF3N2 |
| Molecular Weight | 226.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1-Butyl-5-chloro-3-(trifluoromethyl)-1H-pyrazole (C8H10ClF3N2) contains a nitrile group, fluorine/chlorine 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 226.63 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 1-Butyl-5-chloro-3-(trifluoromethyl)-1H-pyrazole (CAS 1479534-03-6), a certified reference material (molecular formula C8H10ClF3N2, MW 226.63 g/mol) for analytical method development and quality control.
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 | C8H10ClF3N2 |
| Molecular Weight | 226.63 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.) | 1992 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Butyl Standards
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- (4-Chloro-3-fluorophenyl)(furan-3-yl)methanol (CAS 1341327-48-7)
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- (R)-1-(tert-Butylsulfonyl)-5-(2,5-difluorophenyl)pyrrolidin-3-one (CAS 2415724-66-0)
- Semaglutide impurity 274 (CAS CATO-C4X-2226274)
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