1-Benzyl-5-chloro-2-(chloromethyl)-1h-1,3-benzodiazole CAS 868237-99-4
| CAS No. | 868237-99-4 |
| Molecular Formula | C15H12Cl2N2 |
| Molecular Weight | 291.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Benzyl-5-chloro-2-(chloromethyl)-1h-1,3-benzodiazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-Benzyl-5-chloro-2-(chloromethyl)-1h-1,3-benzodiazole (CAS 868237-99-4) is a high-purity analytical reference standard with the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol.
Structurally, 1-Benzyl-5-chloro-2-(chloromethyl)-1h-1,3-benzodiazole (C15H12Cl2N2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 291.18 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.
CATO manufactures 1-Benzyl-5-chloro-2-(chloromethyl)-1h-1,3-benzodiazole 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 | C15H12Cl2N2 |
| Molecular Weight | 291.18 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, 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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