(3-Chlorothiophen-2-yl)(3-(2,6-dichlorophenyl)isoxazol-4-yl)methanone CAS 339012-84-9
| CAS No. | 339012-84-9 |
| Molecular Formula | C14H6Cl3NO2S |
| Molecular Weight | 358.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (3-Chlorothiophen-2-yl)(3-(2,6-dichlorophenyl)isoxazol-4-yl)methanone is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies (3-Chlorothiophen-2-yl)(3-(2,6-dichlorophenyl)isoxazol-4-yl)methanone (CAS 339012-84-9), a certified reference material (molecular formula C14H6Cl3NO2S, MW 358.63 g/mol) for analytical method development and quality control.
Structurally, (3-Chlorothiophen-2-yl)(3-(2,6-dichlorophenyl)isoxazol-4-yl)methanone (C14H6Cl3NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 358.63 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C14H6Cl3NO2S |
| Molecular Weight | 358.63 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chlorothiophen Standards
- 3-(5-Chlorothiophen-2-yl)-N'-(4-ethylbenzylidene)-1H-pyrazole-5-carbohydrazide (CAS 303106-98-1)
- (E)-3-(5-Chlorothiophen-2-yl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile (CAS 1164466-58-3)
- 2-((5-(5-Chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide (CAS 850937-46-1)
- (5-Chlorothiophen-2-yl)(4-(((furan-2-ylmethyl)thio)methyl)piperidin-1-yl)methanone (CAS 1396848-45-5)
- 5-(((5-Chlorothiophen-2-yl)sulfonyl)methyl)-3-(m-tolyl)-1,2,4-oxadiazole (CAS 1105200-17-6)
- (5-Chlorothiophen-2-yl)(4-(5-(furan-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone (CAS 1421507-72-3)
- 2-((1-(4-(3-Chlorothiophen-2-yl)-6-methylpyrimidin-2-yl)-1H-pyrrol-2-yl)methylene)malononitrile (CAS 861210-73-3)
- N-(4-(5-Chlorothiophen-2-yl)thiazol-2-yl)-2-nitrobenzamide (CAS 330677-85-5)
Recommended Standards
- tert-Butyl (7-bromo-2-chloroquinazolin-4-yl)carbamate (CAS 2680752-16-1)
- 1-[(2,4,5-Trichlorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid (CAS 251097-12-8)
- Octadecyl 3-mercaptopropanoate (CAS 31778-15-1)
- 6,8-dichloro-2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid (CAS 897558-65-5)
- (4,5-Dichloro-2-nitrophenyl)methanamine (CAS 224635-99-8)
- 1-(2,3-DICHLORO-4-FLUOROPHENYL)PIPERAZINE HCL (CAS 2007917-17-9)
- Panobinostat, 98% (CAS 404950-80-7)
- 5-(4-Bromobenzoyl)furan-2-carboxylic acid (CAS 1399661-31-4)
- 3-Ethoxy-2-hydroxy-2-methyl-3-oxopropanoic acid (CAS 889460-07-5)
- tert-Butyl N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)carbamate (CAS 1779133-02-6)
- Propofol EP Impurity G(Propofol Related Compound C) (CAS 141214-18-8)
- 4-[2-(2-Methoxyethoxy)ethoxy]-2-(trifluoromethyl)-phenylamine (CAS 946697-88-7)
- (4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)boronic acid (CAS 226396-30-1)
- Semaglutide impurity 81 (CAS CATO-C4X-222681)
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