1-Benzyl-5-chloro-2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole CAS 400075-97-0
| CAS No. | 400075-97-0 |
| Molecular Formula | C19H13Cl2N3 |
| Molecular Weight | 354.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 1-Benzyl-5-chloro-2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole (CAS 400075-97-0), a certified reference material (molecular formula C19H13Cl2N3, MW 354.23 g/mol) for analytical method development and quality control.
1-Benzyl-5-chloro-2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole (C19H13Cl2N3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C19H13Cl2N3 |
| Molecular Weight | 354.23 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- 1-(4-Chlorobenzyl)-2-(6-chloropyridin-3-yl)-1H-benzo[d]imidazole (CAS 339112-50-4)
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- 1-(4-Chlorobenzyl)-2-(2-chloropyridin-3-yl)-1H-benzo[d]imidazole (CAS 338411-33-9)
- 1-(3-Chlorobenzyl)-2-(2-chloropyridin-3-yl)-1H-benzo[d]imidazole (CAS 338411-32-8)
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