7-[(3,4-Dichlorophenyl)methyl]-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione CAS 1019100-13-0
| CAS No. | 1019100-13-0 |
| Molecular Formula | C18H16Cl2N6O2 |
| Molecular Weight | 419.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 7-[(3,4-Dichlorophenyl)methyl]-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
7-[(3,4-Dichlorophenyl)methyl]-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione (CAS 1019100-13-0), molecular formula C18H16Cl2N6O2 and molecular weight 419.26 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 7-[(3,4-Dichlorophenyl)methyl]-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione (C18H16Cl2N6O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 419.26 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C18H16Cl2N6O2 |
| Molecular Weight | 419.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 6 |
Related Dichlorophenyl Standards
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- N-(2,4-Dichlorophenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide (CAS 303093-26-7)
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Recommended Standards
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- IC-BT-Br (CAS 2222146-77-0)
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