1-Benzyl-4-chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine CAS 871547-71-6
| CAS No. | 871547-71-6 |
| Molecular Formula | C13H8ClF3N4 |
| Molecular Weight | 312.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-Benzyl-4-chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine.
1-Benzyl-4-chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine (CAS 871547-71-6) is a high-purity analytical reference standard with the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution, 1-Benzyl-4-chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 312.68 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C13H8ClF3N4 |
| Molecular Weight | 312.68 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Benzyl Standards
- 3-Chloro-2-{2-methylpyrazolo[1,5-a]pyrimidin-7-yl}-5-(trifluoromethyl)pyridine (CAS 1092346-62-7)
- 9-Benzyl-2-chloro-6-(trifluoromethyl)-9H-purine (CAS 1682-16-2)
- 3-Chloro-2-{2-methylpyrazolo[1,5-a]pyrimidin-6-yl}-5-(trifluoromethyl)pyridine (CAS 338953-35-8)
- Ethyl 7-chloro-6-fluoro-1-formamido-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 88569-33-9)
- 6-Chloro-2-phenyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-1-ol (CAS 1203898-20-7)
- 2-(4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)acetonitrile (CAS 339029-95-7)
- 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(4-hydroxyphenyl)acetonitrile (CAS 321432-72-8)
- 3-(4-Chloro-2-methylphenoxy)-5-(trifluoromethyl)picolinonitrile (CAS 338960-03-5)
Recommended Standards
- 4-({[(2-chloroacetyl)amino]carbonyl}amino)-3-fluorobenzenesulphonyl fluoride (CAS 284674-52-8)
- 1-[(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile 478260-55-8 9E-372S (CAS 478260-55-8)
- 3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2,3-dihydro-1H-indol-2-one (CAS 338420-42-1)
- Trelagliptin Impurity 17 (CAS CATO-C4X-104617)
- 4-(((Benzyloxy)carbonyl)amino)cyclopent-2-ene-1-carboxylic acid (CAS 1541739-12-1)
- 3-(hydroxymethyl)-3-methylpiperidin-4-ol hydrochloride (CAS 1823252-95-4)
- 2-Cyano-n-isopropylbenzenesulfonamide (CAS 69360-13-0)
- tert-Butyl 3-acetamido-4-oxopyrrolidine-1-carboxylate (CAS 945217-66-3)
- 5-[4-(Acetylamino)phenyl]-1H-imidazole-2-acetic acidethylester (CAS 908007-24-9)
- [4,4'-bipyridin]-2-amine (CAS 52311-42-9)
- (E)-N'-[7-(4-Chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide (CAS 303145-75-7)
- 4,7-Difluoro-2H-indol-2-one (CAS 247564-58-5)
- 1-(4-Amino-2-bromophenyl)piperidin-4-ol (CAS 1251049-23-6)
- Liraglutide Impurity 30 (CAS CATO-C4X-199230)
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