2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS 691868-52-7
| CAS No. | 691868-52-7 |
| Molecular Formula | C9H6F3N3O2 |
| Molecular Weight | 245.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CAS 691868-52-7) is a high-purity analytical reference standard with the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 245.16 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C9H6F3N3O2 |
| Molecular Weight | 245.16 g/mol |
| Appearance | Off-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 sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
- 2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CAS 1018050-74-2)
- 5-Methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CAS 1018143-96-8)
- 3-Methyl-5-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine-2-carboxylic acid (CAS 1260671-73-5)
- 3-Methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CAS 1443279-18-2)
- 1-Methyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CAS 1779765-25-1)
- 7-Methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CAS 1782824-90-1)
- 6-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS 1790365-86-4)
- 1-Methyl-7-(trifluoromethyl)-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-2,4-dione (CAS 779352-05-5)
Recommended Standards
- 2-bromo-5-methanesulfonylthiophene (CAS 2160-61-4)
- 2-Methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-6-carboxylic acid (CAS 2839759-03-2)
- 2,2,2-Trifluoro-N-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)acetamide (CAS 355135-47-6)
- 3-(Bromomethyl)adamantan-1-ol (CAS 27011-61-6)
- (S)-N,N-Dimethyl Amphetamine-d6 Hydrochloride (CAS 36913-13-0)
- N-(3-Nitrophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide (CAS 324053-82-9)
- cis-1,3-Bis(aminomethyl)cyclohexane (CAS 10340-00-8)
- 5-(3-Aminothieno[2,3-b]pyridin-2-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol (CAS 1030430-68-2)
- 7,7-Dibromobicyclo[4.1.0]heptane (CAS 2415-79-4)
- 6-Chloro-1-(4-methoxyphenyl)-1-oxohexane (CAS 278619-91-3)
- 2-(isopropylsulfinyl)aniline (CAS 1251360-65-2)
- N-(tert-Butyldimethylsilyl)methanesulfonamide (CAS 1648813-57-3)
- 3-(Quinolin-8-yloxy)-5-(trifluoromethyl)pyridine-2-carbonitrile (CAS 338791-72-3)
- Insulin Degludec Impurity 28 (CAS CATO-C4X-215728)
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