4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile CAS 115204-76-7
| CAS No. | 115204-76-7 |
| Molecular Formula | C13H7Cl2N5 |
| Molecular Weight | 304.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile (CAS 115204-76-7), molecular formula C13H7Cl2N5 and molecular weight 304.13 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H7Cl2N5, 4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 304.13 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
CATO manufactures 4-((2,6-Dichloro-9H-purin-9-yl)methyl)benzonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H7Cl2N5 |
| Molecular Weight | 304.13 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
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