5-((7-Chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-2-hydroxybenzoic acid CAS 879477-20-0
| CAS No. | 879477-20-0 |
| Molecular Formula | C13H7ClN4O6 |
| Molecular Weight | 350.67 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.
5-((7-Chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-2-hydroxybenzoic acid (CAS 879477-20-0), molecular formula C13H7ClN4O6 and molecular weight 350.67 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-((7-Chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-2-hydroxybenzoic acid (C13H7ClN4O6) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 350.67 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 5-((7-Chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)-2-hydroxybenzoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H7ClN4O6 |
| Molecular Weight | 350.67 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
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