5-(4-Chlorophenyl)-3-(((4-chlorophenyl)thio)methyl)isoxazole CAS 672951-81-4
| CAS No. | 672951-81-4 |
| Molecular Formula | C16H11Cl2NOS |
| Molecular Weight | 336.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 5-(4-Chlorophenyl)-3-(((4-chlorophenyl)thio)methyl)isoxazole (C16H11Cl2NOS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, 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.
5-(4-Chlorophenyl)-3-(((4-chlorophenyl)thio)methyl)isoxazole (CAS 672951-81-4) is a high-purity analytical reference standard with the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol.
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.
CATO manufactures 5-(4-Chlorophenyl)-3-(((4-chlorophenyl)thio)methyl)isoxazole 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 | C16H11Cl2NOS |
| Molecular Weight | 336.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 1,5-Bis(4-chlorophenyl)-3-(methylthio)-1H-1,2,4-triazole (CAS 99793-38-1)
- 3-(4-Chlorophenyl)-5-(((4-chlorophenyl)thio)methyl)-1H-1,2,4-triazole (CAS 338395-90-7)
- 3-(4-Chlorophenyl)-5-{[(3-chlorophenyl)sulfanyl]methyl}-1,2-oxazole (CAS 551921-25-6)
- N4-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine (CAS 7781-33-1)
- 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(E)-2-(dimethylamino)ethenyl]-1,2-thiazole-4-carbonitrile (CAS 338778-57-7)
- N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-2-(piperidin-1-yl)acetamide (CAS 101436-55-9)
- 1-(4-((4-(4-Chlorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)ethan-1-one (CAS 1172016-47-5)
- 2-(4-(4-Chlorophenyl)piperazin-1-yl)-5-(propan-2-ylidene)thiazol-4(5H)-one (CAS 371208-15-0)
Recommended Standards
- 5-(3,4-Dichlorophenyl)-3-[(phenylsulfanyl)methyl]-1,2-oxazole (CAS 339019-68-0)
- Ethyl 2-[(diiSopropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate (CAS 256332-96-4)
- 5-(2,4-Dichlorophenyl)-4-(2-methylphenyl)-4h-1,2,4-triazole-3-thiol (CAS 93677-85-1)
- Ethyl 2-[(dipropoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate (CAS 256333-00-3)
- N-(2-(6-(Furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)furan-2-carboxamide (CAS 1795489-63-2)
- Methyl 4-cyanofuran-2-carboxylate (CAS 357289-65-7)
- (E)-[(3-Chlorophenyl)methylidene]({2-[(E)-[(3-chlorophenyl)methylidene]amino]ethyl})amine (CAS 109886-97-7)
- 9H-Pyrrolo[2,3-c:5,4-c']dipyridine (CAS 77200-36-3)
- 4-Chloro-2-(3-fluorophenyl)pyrimidine (CAS 76128-70-6)
- 5-(3,5-Dichlorophenoxy)pentanenitrile (CAS 1247785-09-6)
- 5-Chloro-2-(trifluoromethoxy)pyridine (CAS 1361836-39-6)
- DL-erythro Ritalinic Acid Hydrochloride (CAS 19130-92-8)
- 1-(5-(tert-Butylthio)-4-methylpyridin-2-yl)azepane (CAS 1355224-51-9)
- Neuropeptide Y (13-36) (human, rat) (CAS 122341-40-6)
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