2-chloro-1-(1-isoxazol-3-yl-2,5-dimethyl-1H-pyrrol-3-yl)ethanone CAS 857041-83-9
| CAS No. | 857041-83-9 |
| Molecular Formula | C11H11ClN2O2 |
| Molecular Weight | 238.67 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 2-chloro-1-(1-isoxazol-3-yl-2,5-dimethyl-1H-pyrrol-3-yl)ethanone.
CATO supplies 2-chloro-1-(1-isoxazol-3-yl-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 857041-83-9), a certified reference material (molecular formula C11H11ClN2O2, MW 238.67 g/mol) for analytical method development and quality control.
Structurally, 2-chloro-1-(1-isoxazol-3-yl-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (C11H11ClN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 238.67 g/mol, it falls into the medium-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.
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 | C11H11ClN2O2 |
| Molecular Weight | 238.67 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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 DMSO, DMF, methanol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 3-(4-Acetylphenyl)-2-aminopropanoic Acid Hydrochloride (CAS 1360436-95-8)
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- 3-(2,5-Dimethylphenoxy)piperidine 4014AF 946681-05-6 C13H19NO (CAS 946681-05-6)
- Cabozantinib Impurity 8 (CAS 213699-53-7)
- 1-(2,5-Dimethyl-4,5-dihydrooxazol-5-yl)ethanone (CAS 77219-13-7)
- Ethyl 3-(5-Methoxy-3-indolyl)propanoate (CAS 76834-78-1)
- (S)-4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoic acid (CAS 205812-08-4)
- (S)-1-(3-bromo-2-fluorophenyl)-2-methoxyethan-1-amine (CAS 1272738-31-4)
- Semaglutide impurity 271 (CAS CATO-C4X-2226271)
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