1-(3-Chloroisoxazol-5-yl)ethan-1-one CAS 80403-94-7
| CAS No. | 80403-94-7 |
| Molecular Formula | C5H4ClNO2 |
| Molecular Weight | 145.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1-(3-Chloroisoxazol-5-yl)ethan-1-one 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.
1-(3-Chloroisoxazol-5-yl)ethan-1-one (CAS 80403-94-7), molecular formula C5H4ClNO2 and molecular weight 145.54 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(3-Chloroisoxazol-5-yl)ethan-1-one (C5H4ClNO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 145.54 g/mol, it falls into the low-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C5H4ClNO2 |
| Molecular Weight | 145.54 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloroisoxazol Standards
Recommended Standards
- (E)-N-[(5-chlorofuran-2-yl)methylidene]hydroxylamine (CAS 54376-27-1)
- 2-Chloro-1-(isoxazol-3-yl)ethanone (CAS 90251-23-3)
- 4-Chloro-3-hydroxypyridin-2(1H)-one (CAS 19365-20-9)
- 2-Chloro-3-hydroxypyridine 1-oxide (CAS 30810-20-9)
- Sodium hexachloroiridium(IV)ate hexahydrate (CAS 19567-78-3)
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- 6-Chloro-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CAS 812649-15-3)
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- S-((9H-fluoren-9-yl)methyl)-N-((allyloxy)carbonyl)-L-cysteine (CAS 182201-77-0)
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- Semaglutide（sodium salt） (CAS CATO-C4X-222619)
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