8-Benzyl-2,4-dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine CAS 2617829-46-4
| CAS No. | 2617829-46-4 |
| Molecular Formula | C15H15Cl2N3 |
| Molecular Weight | 308.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 308.21 g/mol gives 8-Benzyl-2,4-dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
8-Benzyl-2,4-dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine (CAS 2617829-46-4) is a high-purity analytical reference standard with the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol.
Structurally, 8-Benzyl-2,4-dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine (C15H15Cl2N3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 308.21 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 8-Benzyl-2,4-dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine 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 | C15H15Cl2N3 |
| Molecular Weight | 308.21 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2001 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Benzyl Standards
- 7-Benzyl-2,4-dichloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine (CAS 635698-48-5)
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