4-(5-Formyl-1,2,4-oxadiazol-3-yl)benzonitrile CAS 944906-29-0
| CAS No. | 944906-29-0 |
| Molecular Formula | C10H5N3O2 |
| Molecular Weight | 199.17 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 4-(5-Formyl-1,2,4-oxadiazol-3-yl)benzonitrile.
4-(5-Formyl-1,2,4-oxadiazol-3-yl)benzonitrile (CAS 944906-29-0) is a high-purity analytical reference standard with the molecular formula C10H5N3O2 and a molecular weight of 199.17 g/mol.
Owing to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage, 4-(5-Formyl-1,2,4-oxadiazol-3-yl)benzonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 199.17 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C10H5N3O2 |
| Molecular Weight | 199.17 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 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
Related Formyl Standards
- 3-(5-Formyl-1,2,4-oxadiazol-3-yl)benzonitrile (CAS 944906-23-4)
- 4-(5-Formyl-1,3,4-oxadiazol-2-yl)benzonitrile (CAS 944898-02-6)
- 4-Formyl-2-(trifluoromethyl)benzonitrile (CAS 101066-58-4)
- 2-Formyl-3-(trifluoromethyl)benzonitrile (CAS 1289195-79-4)
- 3-Formyl-5-(trifluoromethyl)benzonitrile (CAS 569370-39-4)
- 4-Formyl-3-(trifluoromethyl)benzonitrile (CAS 211796-64-4)
- Ethyl 2-formyl-5-methyl-1,3-thiazole-4-carboxylate (CAS 1282549-65-8)
- 4-Formyl-N-methylbenzenesulfonamide (CAS 13092-93-8)
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