4-Chloro-1-(4-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine CAS 1269703-41-4
| CAS No. | 1269703-41-4 |
| Molecular Formula | C12H6ClF3N4 |
| Molecular Weight | 298.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Chloro-1-(4-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 1269703-41-4) is a high-purity analytical reference standard with the molecular formula C12H6ClF3N4 and a molecular weight of 298.65 g/mol.
Based on its molecular formula C12H6ClF3N4, 4-Chloro-1-(4-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 298.65 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C12H6ClF3N4 |
| Molecular Weight | 298.65 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, 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloro Standards
- 6-Chloro-3-(2-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 1094452-66-0)
- 4-Chloro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 1096951-17-5)
- 2-Chloro-4-(morpholin-4-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CAS 1283693-68-4)
- 6-Chloro-3-(4-(trifluoromethyl)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 175204-95-2)
- 7-Chloro-2-(3-(trifluoromethyl)phenyl)-2H-pyrazolo[3,4-d]pyridazine (CAS 1956379-80-8)
- 2-[8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyridine (CAS 339099-44-4)
- 3-[8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyridine (CAS 339099-70-6)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile (CAS 95711-33-4)
Recommended Standards
- 2-(2-Chloropyridin-4-yl)-5-(trifluoromethyl)benzo[d]oxazole (CAS 1192019-08-1)
- Trihexyl(methyl)silane (CAS 3429-60-5)
- triethyl(4-triethylsilylbut-3-ynoxy)silane (CAS 160194-28-5)
- 3-(4-Chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile (CAS 256658-19-2)
- 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzeneundecanoic Acid (CAS 113274-80-9)
- 1,1’-Bis(di-tert-butylphosphino)ferrocene Palladium Dichloride (CAS 95408-45-0)
- 4-(Methylsulfinyl)benzonitrile (CAS 97474-48-1)
- 3-amino-1-(3,5-dimethoxyphenyl)propan-1-ol (CAS 1225531-09-8)
- 1-(3-Phenylprop-2-yn-1-yl)piperidine hydrochloride (CAS 153396-03-3)
- 3-Acetyl-6-chloro-4-phenyl-1H-quinolin-2-one (CAS 58375-08-9)
- 1,3-Bis(2,6-diisopropylphenyl)-1h-imidazol-3-ium (CAS 286014-24-2)
- cis-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine hydrochloride (CAS 1807916-58-0)
- 4-(1H-1,3-benzodiazol-1-ylmethyl)benzene-1-carboximidamide dihydrochloride (CAS 1221725-48-9)
- ([D2]Gly4)-Cholecystokinin Octapeptide (sulfated) ammonium salt (CAS 1926163-74-7)
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