6-Chlorobenzoxazole-2(3H)-thione CAS 22876-20-6
| CAS No. | 22876-20-6 |
| Molecular Formula | C7H4ClNOS |
| Molecular Weight | 185.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
6-Chlorobenzoxazole-2(3H)-thione (CAS 22876-20-6) is a high-purity analytical reference standard with the molecular formula C7H4ClNOS and a molecular weight of 185.63 g/mol.
Based on its molecular formula C7H4ClNOS, 6-Chlorobenzoxazole-2(3H)-thione contains an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 185.63 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C7H4ClNOS |
| Molecular Weight | 185.63 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1963 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chlorobenzoxazole Standards
- 7-Chlorobenzoxazole-2(3H)-thione (CAS 51793-93-2)
- 7-Chlorobenzoxazole-2-methanamine (CAS 1267094-00-7)
- 5-Chlorobenzoxazole-2-methanamine (CAS 936074-77-0)
- 6-Chlorobenzoxazole-2-methanamine (CAS 936074-79-2)
- 5-Chlorobenzoxazole-2-carboxylic Acid (CAS 49559-65-1)
- 7-Chlorobenzoxazole (CAS 1243378-99-5)
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Recommended Standards
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- 6-Chloro-3h-imidazo[4,5-b]pyridine-2-thiol (CAS 19918-37-7)
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- Octahydrofuro[3,2-c]pyridin-4-one (CAS 1699441-75-2)
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