≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Temperatura ambiente Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC2=C(C=C1C(F)(F)F)NC(=O)C2=O |
|---|---|
| IUPAC Name | 6-(trifluoromethyl)-1H-indole-2,3-dione |
| InChIKey | CYVMRSKFRIKMQL-UHFFFAOYSA-N |
| INCHI | 1S/C9H4F3NO2/c10-9(11,12)4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15) |
| Isómeros SMILES | C1=CC2=C(C=C1C(F)(F)F)NC(=O)C2=O |
| Peso molecular | 215.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Aryl ketones Benzenoids Vinylogous amides Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Aryl ketone - Benzenoid - Vinylogous amide - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 192-198 °C |
|---|---|
| Peso molecular | 215.130 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 215.019 Da |
| Monoisotopic Mass | 215.019 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 313.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
