3-(5-Chloro-2-(2-ethoxybut-1-en-1-yl)benzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate CAS 63148-89-0
| CAS No. | 63148-89-0 |
| Molecular Formula | C16H20ClNO5S |
| Molecular Weight | 373.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(5-Chloro-2-(2-ethoxybut-1-en-1-yl)benzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate is closely related to a flavonoid core, 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.
3-(5-Chloro-2-(2-ethoxybut-1-en-1-yl)benzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate (CAS 63148-89-0), molecular formula C16H20ClNO5S and molecular weight 373.85 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 3-(5-Chloro-2-(2-ethoxybut-1-en-1-yl)benzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 373.85 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C16H20ClNO5S |
| Molecular Weight | 373.85 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- N-(4-chlorophenyl)-3-((4-methoxybenzyl)oxy)thiophene-2-carboxamide (CAS 339098-32-7)
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- 2-[3-(tert-Butoxycarbonyl-amino-methyl)-5-chloro-1H-indol-2-yl]-4-methyl-pentanoic acid (CAS 1380571-63-0)
- 6-Bromo-8-methoxychroman-4-one (CAS 81258-20-0)
- 5-nitro-1H-triazole (CAS 14544-45-7)
- Iohexol (CAS 66108-95-0)
- (S)-3-((tert-butoxycarbonyl)amino)-2-(3,4,5-trimethoxybenzyl)propanoic acid (CAS 1260608-51-2)
- 5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2(3H)-thione (CAS 175277-94-8)
- 4-(Trifluoromethyl)-6-(4-trifluoromethylphenyl)-1,2-dihydro-2-oxopyridine-3-carbonitrile (CAS 951231-23-5)
- 2-((5-((4-Cyanophenoxy)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-methoxyphenyl)acetamide (CAS 332127-29-4)
- 2-(4-Isopropoxy-6-methylpyrimidin-2-yl)phenol (CAS 300839-40-1)
- Biotinyl-Pancreatic Polypeptide (human) trifluoroacetate salt (CAS 1816258-36-2)
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