5-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole CAS 898288-96-5
| CAS No. | 898288-96-5 |
| Molecular Formula | C5H4F3IN2 |
| Molecular Weight | 276.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 276.00 g/mol gives 5-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 5-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 898288-96-5), a certified reference material (molecular formula C5H4F3IN2, MW 276.00 g/mol) for analytical method development and quality control.
Structurally, 5-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole (C5H4F3IN2) contains a nitrile group, fluorine/iodine 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 276.00 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C5H4F3IN2 |
| Molecular Weight | 276.00 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.) | 1987 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 2 |
Related Iodo Standards
- 4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 1194377-09-7)
- 3-iodo-1-(2,2,2-trifluoro-ethyl)-1h-pyraZole (CAS 1354704-54-3)
- 4-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 1443279-46-6)
- 3-Iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 1823829-61-3)
- 4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole (CAS 918483-35-9)
- 4-Iodo-2-methyl-1-(trifluoromethyl)-1H-imidazole (CAS 2755894-07-4)
- 4-Iodo-3-methyl-5-(trifluoromethyl)-1H-pyrazole (CAS 855343-07-6)
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