3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one CAS 1204669-80-6
| CAS No. | 1204669-80-6 |
| Molecular Formula | C10H5ClFN5O3 |
| Molecular Weight | 297.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one (CAS 1204669-80-6), molecular formula C10H5ClFN5O3 and molecular weight 297.63 g/mol, is a CATO reference standard with documented purity and traceability.
3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one (C10H5ClFN5O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C10H5ClFN5O3 |
| Molecular Weight | 297.63 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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 methanol, ethanol, DMSO |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related Amino Standards
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Recommended Standards
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- 3-Chloro-N-(3-fluorophenyl)benzamide (CAS 167565-75-5)
- (2-(Furan-2-yl)-5-methyloxazol-4-yl)methanamine (CAS 914637-14-2)
- 1-(Isobutylthio)-3,3-dimethylcyclobutane-1-carboxylic acid (CAS 1492609-22-9)
- Azasetron lmpurity 3 (CAS 5043-81-2)
- Octanoic acid, 8-[[(1,1-dimethylethoxy)carbonyl]amino]-, 2,5-dioxo-1-pyrrolidinyl ester (CAS 149414-80-2)
- rac Viloxazine Hydrochloride (CAS 35604-67-2)
- 2-Acetoxy-4-bromobenzoic acid (CAS 17336-09-3)
- Insulin Degludec Impurity 9 (CAS CATO-C4X-21579)
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