4-Chloro-5-(((2-methylbenzyl)thio)methyl)isoxazol-3(2H)-one CAS 89661-06-3
| CAS No. | 89661-06-3 |
| Molecular Formula | C12H12ClNO2S |
| Molecular Weight | 269.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-Chloro-5-(((2-methylbenzyl)thio)methyl)isoxazol-3(2H)-one (C12H12ClNO2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-Chloro-5-(((2-methylbenzyl)thio)methyl)isoxazol-3(2H)-one (CAS 89661-06-3), molecular formula C12H12ClNO2S and molecular weight 269.75 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 4-Chloro-5-(((2-methylbenzyl)thio)methyl)isoxazol-3(2H)-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H12ClNO2S |
| Molecular Weight | 269.75 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 |
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Recommended Standards
- 4-(chloromethyl)-2-(2,4-dimethoxyphenyl)-1,3-thiazole (CAS 900640-86-0)
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- 4-(2-Chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine (CAS 35265-88-4)
- 5-((2-Chloro-5-methylphenoxy)methyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 861408-36-8)
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- 2,4-Dichloro-5-nitrobenzodifluoride (CAS 1803825-29-7)
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- 4-((1-Methyl-1H-imidazol-4-yl)sulfonyl)morpholine (CAS 58768-67-5)
- Benzyl 1-benzylpiperazine-2-carboxylate (CAS 1253226-48-0)
- 2-(4-Cyclopropylpiperazin-1-yl)acetic acid (CAS 937660-41-8)
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- 1,1'-(Dihydropyrimidine-1,3(2H,4H)-diyl)bis(decan-1-one) (CAS 32634-22-3)
- 3-((4-Methylthiazol-2-yl)oxy)phenol (CAS 1179775-38-2)
- His-Aib-Semaglutide (CAS CATO-C4X-2226220)
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