| CAS No. | 1155075-44-7 |
| Molecular Formula | C12H6ClN5 |
| Molecular Weight | 255.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The molecular framework of 3-(4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile (C12H6ClN5) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 3-(4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile (CAS 1155075-44-7), a certified reference material (molecular formula C12H6ClN5, MW 255.66 g/mol) for analytical method development and quality control.
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.
| Molecular Formula | C12H6ClN5 |
| Molecular Weight | 255.66 g/mol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |