3,5-Dimethylisoxazole-4-sulfonyl Chloride CAS 80466-79-1
| CAS No. | 80466-79-1 |
| Molecular Formula | C5H6ClNO3S |
| Molecular Weight | 195.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 3,5-Dimethylisoxazole-4-sulfonyl Chloride (CAS 80466-79-1), a certified reference material (molecular formula C5H6ClNO3S, MW 195.62 g/mol) for analytical method development and quality control.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, 3,5-Dimethylisoxazole-4-sulfonyl Chloride is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 195.62 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C5H6ClNO3S |
| Molecular Weight | 195.62 g/mol |
| 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, water |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dimethylisoxazole Standards
- (3,5-Dimethylisoxazole-4-carbonyl)-d-alanine (CAS 1308967-44-3)
- Ethyl 4,5-dimethylisoxazole-3-carboxylate (CAS 160850-62-4)
- Ethyl 3,5-dimethylisoxazole-4-carboxylate (CAS 17147-42-1)
- 4-(n,5-Dimethylisoxazole-3-carboxamido)butanoic acid (CAS 1094257-41-6)
- Methyl 3-(3,5-dimethylisoxazole-4-carboxamido)propanoate (CAS 1209700-54-8)
- 3,5-Dimethylisoxazole-4-sulfinic acid (CAS 787513-23-9)
- 3,5-Dimethylisoxazole-4-carbonyl chloride 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride 3,5-dimethylisoxasole-4-carbonyl chloride 3,5-dimethylisoxazole-4-carbonylchloride 31301-45-8 (CAS 31301-45-8)
- Methyl 3,4-dimethylisoxazole-5-carboxylate (CAS 1355180-31-2)
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- 3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)aniline (CAS 1334167-69-9)
- 1-(4-(tert-Butyl)phenyl)-6,7-dihydro-1H-indazol-4(5H)-one (CAS 1203661-42-0)
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