Benzo[c][1,2,5]oxadiazole-4-carbonyl chloride CAS 111595-71-2
| CAS No. | 111595-71-2 |
| Molecular Formula | C7H3ClN2O2 |
| Molecular Weight | 182.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 182.56 g/mol gives Benzo[c][1,2,5]oxadiazole-4-carbonyl chloride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Benzo[c][1,2,5]oxadiazole-4-carbonyl chloride (CAS 111595-71-2) is a high-purity analytical reference standard with the molecular formula C7H3ClN2O2 and a molecular weight of 182.56 g/mol.
The molecular framework of Benzo[c][1,2,5]oxadiazole-4-carbonyl chloride (C7H3ClN2O2) 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C7H3ClN2O2 |
| Molecular Weight | 182.56 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 DMSO, DMF, methanol |
| 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.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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