2,6,8-Trichloro-7-Methyl Purine CAS 16404-16-3
| CAS No. | 16404-16-3 |
| Molecular Formula | C6H3Cl3N4 |
| Molecular Weight | 237.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2,6,8-Trichloro-7-Methyl Purine is closely related to a nitrile group, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2,6,8-Trichloro-7-Methyl Purine (CAS 16404-16-3), molecular formula C6H3Cl3N4 and molecular weight 237.47 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2,6,8-Trichloro-7-Methyl Purine (C6H3Cl3N4) contains a nitrile group, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 237.47 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 2,6,8-Trichloro-7-Methyl Purine 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.
Physical & Chemical Properties
| Molecular Formula | C6H3Cl3N4 |
| Molecular Weight | 237.47 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1961 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
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- Tetrahydro-2-[(2R)-2-oxiranylmethoxy]-2H-pyran (CAS 90191-60-9)
- C-morpholin-4-yl-methylamine (CAS 62985-37-9)
- 2-(1-Chloroethyl)-1,3,4-oxadiazole (CAS 1250037-50-3)
- Dapagliflozin Impurity 75 (CAS CATO-C4X-113875)
- (4s)-6-(Propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-amine hydrochloride (CAS 676134-25-1)
- Amoxicillin Impurity 96 (CAS 2088960-43-2)
- Pancreatic Polypeptide (human) trifluoroacetate salt (CAS 75976-10-2)
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