3-(4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl)acrylic acid CAS 159054-14-5
| CAS No. | 159054-14-5 |
| Molecular Formula | C14H11Cl2NO4 |
| Molecular Weight | 328.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-(4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl)acrylic acid (CAS 159054-14-5), molecular formula C14H11Cl2NO4 and molecular weight 328.15 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H11Cl2NO4, 3-(4,6-Dichloro-2-(ethoxycarbonyl)-1H-indol-3-yl)acrylic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 328.15 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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 | C14H11Cl2NO4 |
| Molecular Weight | 328.15 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 1-(4-Fluoro-2-iodophenyl)-1h-pyrazole-3-carboxylic acid (CAS 1540013-00-0)
- Methyl 4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzoate (CAS 1797868-75-7)
- N-benzyl-1-(naphthalen-1-yl)ethan-1-amine hydrochloride (CAS 946007-44-9)
- Methyl 3-((2-aminocyclopentyl)thio)propanoate (CAS 1343714-63-5)
- 4,7-Diisobutyl-1,10-phenanthroline (CAS 300680-81-3)
- (S)-2-([1,1'-biphenyl]-4-yl)-2-aminoethan-1-ol (CAS 1429184-14-4)
- Tropisetron Impurity 2 (CAS CATO-C4X-11792)
- 4-(2,4-Dimethoxyphenyl)-2,2-dimethyl-4-oxobutyric acid (CAS 951894-38-5)
- 3-(Allyloxy)-5-(hydroxymethyl)phenol (CAS 474960-23-1)
- Semaglutide impurity 258 (CAS CATO-C4X-2226258)
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