Ethyl 5-(((3-bromophenyl)thio)methyl)isoxazole-3-carboxylate CAS 823219-95-0
| CAS No. | 823219-95-0 |
| Molecular Formula | C13H12BrNO3S |
| Molecular Weight | 342.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 342.21 g/mol gives Ethyl 5-(((3-bromophenyl)thio)methyl)isoxazole-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 5-(((3-bromophenyl)thio)methyl)isoxazole-3-carboxylate (CAS 823219-95-0) is a high-purity analytical reference standard with the molecular formula C13H12BrNO3S and a molecular weight of 342.21 g/mol.
Structurally, Ethyl 5-(((3-bromophenyl)thio)methyl)isoxazole-3-carboxylate (C13H12BrNO3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 342.21 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H12BrNO3S |
| Molecular Weight | 342.21 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
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- 4-(4-Bromophenyl)-5-(ethylsulfonyl)pyrimidin-2-amine (CAS 1713714-45-4)
- 2-((5-(4-Bromophenyl)-4-methyl-4h-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 832739-64-7)
- 2-{[5-(3-Bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetohydrazide (CAS 697787-28-3)
- Ethyl 5-(((2-bromophenyl)thio)methyl)isoxazole-3-carboxylate (CAS 823219-94-9)
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Recommended Standards
- Ethyl 4-(4-bromo-3-methoxyphenyl)thiazole-2-carboxylate (CAS 886366-69-4)
- N-(4-bromo-2-methylphenyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)acetamide (CAS 329779-20-6)
- Ethyl 2-(4-bromo-3-methoxyphenyl)thiazole-5-carboxylate (CAS 886369-64-8)
- n-(4-Bromo-3-methylphenyl)-2-((1-methyl-1h-tetrazol-5-yl)thio)acetamide (CAS 482298-22-6)
- N-(tert-Butoxycarbonyl)-D-threonine Methyl Ester (CAS 96099-84-2)
- Cinacalcet Impurity 62 (CAS 87087-35-2)
- (2E)-3-[(4-Chloro-2-methylphenyl)amino]-1-[3-(3-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one (CAS 383147-96-4)
- 2-Cyano-3-((triisopropylsilyl)ethynyl)pyridine (CAS 1260387-01-6)
- 3,4-Dimethoxybenzene-1-sulfonyl fluoride (CAS 95546-50-2)
- N-Formyl 2-chloro-5-trifluoromethylaniline (CAS 657-63-6)
- 5-(3-Methyl-1H-indazol-4-yl)oxazol-2-amine (CAS 1105709-98-5)
- 2-(2,4-Dichloro-6-methylphenoxy)acetamide (CAS 501008-49-7)
- 4-(Isobutylsulfonyl)-1-naphthaldehyde (CAS 1394022-44-6)
- Semaglutide impurity 214 (CAS CATO-C4X-2226214)
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