1-Methyl-4-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(trifluoromethyl)-1H-pyrazole CAS 956624-11-6
| CAS No. | 956624-11-6 |
| Molecular Formula | C13H9F6N5 |
| Molecular Weight | 349.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-Methyl-4-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(trifluoromethyl)-1H-pyrazole (CAS 956624-11-6), molecular formula C13H9F6N5 and molecular weight 349.23 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-Methyl-4-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-5-(trifluoromethyl)-1H-pyrazole (C13H9F6N5) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 349.23 g/mol, it falls into the moderately-high-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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H9F6N5 |
| Molecular Weight | 349.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Recommended Standards
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- 6-Bromo-5-chloro-3-iodopyrazin-2-amine (CAS 1823953-66-7)
- 2,4-Dibromo-3,5-dimethylthiophene (CAS 63862-00-0)
- Tau Peptide (401-411)-Lys-Lys trifluoroacetate salt (CAS 2022956-59-6)
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