5-Nitro-benzooxazole-2-carboxylic acid CAS 49559-67-3
| CAS No. | 49559-67-3 |
| Molecular Formula | C8H4N2O5 |
| Molecular Weight | 208.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Nitro-benzooxazole-2-carboxylic acid.
5-Nitro-benzooxazole-2-carboxylic acid (CAS 49559-67-3), molecular formula C8H4N2O5 and molecular weight 208.13 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H4N2O5, 5-Nitro-benzooxazole-2-carboxylic acid contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 208.13 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.
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 | C8H4N2O5 |
| Molecular Weight | 208.13 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- (E)-(2,4-dichlorophenyl)(thieno[2,3-b]quinolin-2-yl)methanone oxime (CAS 692737-17-0)
- (5-Fluoro-2-nitrophenyl)methanamine (CAS 131780-92-2)
- 6-Chloro-2-methyl-5-nitroimidazo[2,1-b][1,3,4]thiadiazole (CAS 256348-40-0)
- 1-(6-(4-Iodophenyl)-2-methylpyridin-3-yl)ethanone (CAS 1804966-76-4)
- 5-Bromo-2-fluoro-3-phenylpyridine (CAS 473596-03-1)
- 1-(3,4-Diethoxyphenyl)ethanol (CAS 208332-13-2)
- (R)-2-Hydroxypentanenitrile (CAS 10021-63-3)
- Semaglutide impurity 54 (CAS CATO-C4X-222654)
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