| CAS No. | 1244855-59-1 |
| Molecular Formula | C13H9ClIN3 |
| Molecular Weight | 369.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 7-Benzyl-4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
7-Benzyl-4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (CAS 1244855-59-1), molecular formula C13H9ClIN3 and molecular weight 369.59 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 7-Benzyl-4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (C13H9ClIN3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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).
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 | C13H9ClIN3 |
| Molecular Weight | 369.59 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.) | 1990 |
| Halogen Content | Cl/I-containing |
| Nitrogen Atoms | 3 |