5-((tert-Butylthio)methyl)-4-chloroisoxazol-3(2H)-one CAS 89660-96-8
| CAS No. | 89660-96-8 |
| Molecular Formula | C8H12ClNO2S |
| Molecular Weight | 221.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-((tert-Butylthio)methyl)-4-chloroisoxazol-3(2H)-one (CAS 89660-96-8), molecular formula C8H12ClNO2S and molecular weight 221.70 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, 5-((tert-Butylthio)methyl)-4-chloroisoxazol-3(2H)-one is typically white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 221.70 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.
As a certified reference material (CRM), 5-((tert-Butylthio)methyl)-4-chloroisoxazol-3(2H)-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.
Physical & Chemical Properties
| Molecular Formula | C8H12ClNO2S |
| Molecular Weight | 221.70 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related tert Standards
- 5-((Butylthio)methyl)-4-chloroisoxazol-3(2H)-one (CAS 89660-95-7)
- 3-(Butylthio)-5-(difluoromethyl)-4h-1,2,4-triazol-4-amine (CAS 886496-06-6)
- 2-(Butylthio)-1-(m-tolyl)ethan-1-one (CAS 1157151-10-4)
- 2-(Butylthio)-1-phenylpropan-1-one (CAS 1157152-81-2)
- 1-(Sec-butylthio)-3-phenylpropan-2-one (CAS 1157222-08-6)
- 1-(Tert-butylthio)-3-phenylpropan-2-one (CAS 1157222-21-3)
- 2-(Butylthio)-1-(p-tolyl)ethan-1-one (CAS 1157302-44-7)
- 1-(Butylthio)-3-phenylpropan-2-one (CAS 1157305-70-8)
Recommended Standards
- 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid (CAS 596793-57-6)
- 4-chlorothieno[3,2-c]pyridine-7-carboxylic acid (CAS 55040-48-7)
- 7-chlorothieno[3,2-b]pyridine-6-carboxylic acid (CAS 90690-94-1)
- 4-(2-Chloroallyl)thiomorpholine-3-carboxylic acid (CAS 1544016-77-4)
- N-(tert-Butyl)-3-methylbutan-1-amine (CAS 41781-27-5)
- 4-Nitro-1H-pyrazole-3-carbonitrile (CAS 61241-07-4)
- 4-Bromo-N-cyclopropyl-3-fluorobenzenesulfonamide (CAS 1055995-84-0)
- 4-Chloro-2-fluorobenzenesulfonamide (CAS 852664-20-1)
- 4-(Bromomethyl)-2,6-difluoropyridine (CAS 1006302-13-1)
- N-Benzoyl-L-tyrosyl-L-alanine-1-13C (CAS 851429-73-7)
- CP-101537 (CAS 134575-17-0)
- 4-Methoxy-N,N-dimethyl-3-sulfamoylbenzamide (CAS 1479683-22-1)
- Diethyl 2-(((3-chloro-2-methylphenyl)amino)methylene)malonate (CAS 58666-10-7)
- Serpent Peptide 2AcOH (CAS 823202-99-9(free base))
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