5-((Benzylthio)methyl)-4-chloroisoxazol-3(2H)-one CAS 89661-01-8
| CAS No. | 89661-01-8 |
| Molecular Formula | C11H10ClNO2S |
| Molecular Weight | 255.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 5-((Benzylthio)methyl)-4-chloroisoxazol-3(2H)-one (CAS 89661-01-8), a certified reference material (molecular formula C11H10ClNO2S, MW 255.72 g/mol) for analytical method development and quality control.
Based on its molecular formula C11H10ClNO2S, 5-((Benzylthio)methyl)-4-chloroisoxazol-3(2H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 255.72 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C11H10ClNO2S |
| Molecular Weight | 255.72 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Benzylthio Standards
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Recommended Standards
- 5-((4-Chlorophenoxy)methyl)-N-methyl-1,3,4-thiadiazol-2-amine (CAS 87527-43-3)
- 5-(1-(2-Chlorophenoxy)ethyl)-1,3,4-thiadiazol-2-amine (CAS 78385-17-8)
- 5-((4-Chloro-3-methylphenoxy)methyl)-4h-1,2,4-triazole-3-thiol (CAS 554423-25-5)
- 5-(1-(4-Chlorophenoxy)ethyl)-1,3,4-thiadiazol-2-amine (CAS 78784-06-2)
- (S)-methyl 5-oxopyrrolidine-3-carboxylate (CAS 428518-31-4)
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- 4-(Difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-sulfonamide (CAS 1806162-24-2)
- 3-amino-2-(pyridin-3-yl)propan-1-ol dihydrochloride (CAS 1909327-07-6)
- 2-(4-Ethylphenoxy)-5-fluoroaniline (CAS 946775-12-8)
- Boc-Ile-ONp (CAS 16948-38-2)
- N,2-dimethylbutanamide (CAS 21458-37-7)
- 5-Amino-1-methyl-1H-pyrazole-3-carboxylic Acid (CAS 117860-53-4)
- Methyl 3-(6-aminopyridin-3-yl)-5-fluorobenzoate (CAS 1314987-71-7)
- Proinsulin C-Peptide (55-89) (human) (CAS 11097-48-6)
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