5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS 10185-66-7
| CAS No. | 10185-66-7 |
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.25 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-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole.
5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole (CAS 10185-66-7) is a high-purity analytical reference standard with the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol.
Based on its molecular formula C12H13N3O3, 5-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole 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 247.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C12H13N3O3 |
| Molecular Weight | 247.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1959 |
| Nitrogen Atoms | 3 |
Related Butyl Standards
- 2-butyl-5-(4-nitrophenyl)-1,3,4-oxadiazole (CAS 100933-81-1)
- 5-Butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS 10364-70-2)
- 7-(3-Nitrophenyl)-5,8-diazaspiro[3.4]octan-6-one (CAS 1272755-97-1)
- Methyl 3-(4-nitrophenyl)bicyclo[1.1.1]pentane-1-carboxylate (CAS 159600-55-2)
- 1-(4-Nitrophenyl)-2-(pyrrolidin-1-ylimino)ethanone (CAS 25555-23-1)
- 1-(4-Nitrophenyl)-3-propyl-1H-pyrazol-5-ol (CAS 418804-55-4)
- 2-{[(2-nitrophenyl)methyl]sulfanyl}pyrimidine (CAS 1118787-28-2)
- 1-[5-(2-nitrophenyl)thiophen-2-yl]ethan-1-one (CAS 70013-40-0)
Recommended Standards
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- 3-Oxo-2-(1-propylpiperidin-4-yl)-2,3-dihydropyridazine-4-carboxylic acid (CAS 1443287-42-0)
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