3-Chloro-7-nitro-1,2-benzisoxazole CAS 178747-55-2
| CAS No. | 178747-55-2 |
| Molecular Formula | C7H3ClN2O3 |
| Molecular Weight | 198.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Chloro-7-nitro-1,2-benzisoxazole (CAS 178747-55-2) is a high-purity analytical reference standard with the molecular formula C7H3ClN2O3 and a molecular weight of 198.56 g/mol.
The molecular framework of 3-Chloro-7-nitro-1,2-benzisoxazole (C7H3ClN2O3) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C7H3ClN2O3 |
| Molecular Weight | 198.56 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2008 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- 5-Chloro-6-nitrobenzo[d]oxazole (CAS 116549-11-2)
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