N-(benzo[d]thiazol-2-yl)-2-chloronicotinamide CAS 85678-85-9
| CAS No. | 85678-85-9 |
| Molecular Formula | C13H8ClN3OS |
| Molecular Weight | 289.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
N-(benzo[d]thiazol-2-yl)-2-chloronicotinamide (CAS 85678-85-9) is a high-purity analytical reference standard with the molecular formula C13H8ClN3OS and a molecular weight of 289.74 g/mol.
The molecular framework of N-(benzo[d]thiazol-2-yl)-2-chloronicotinamide (C13H8ClN3OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C13H8ClN3OS |
| Molecular Weight | 289.74 g/mol |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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- 3-(4-Bromo-2-propylphenoxy)piperidinehydrochloride (CAS 1220017-64-0)
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- 4-Bromo-2-(chloromethyl)oxazole (CAS 1240598-40-6)
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