Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature 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.
| Pubchem Sid | 488197408 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488197408 |
| Canonical Smiles | C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F |
| IUPAC Name | 2-(trifluoromethylsulfanyl)isoindole-1,3-dione |
| InChIKey | CFNSRIIHFLPQCE-UHFFFAOYSA-N |
| INCHI | 1S/C9H4F3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F |
| Molecular Weight | 247.19 |
| Reaxy-Rn | 1464619 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1464619&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Isoindoles Benzenoids Trihalomethanes Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Benzenoid - Trihalomethane - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organic oxygen compound - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 08, 2022 | N159237 | |
| Certificate of Analysis | Sep 08, 2022 | N159237 | |
| Certificate of Analysis | Sep 08, 2022 | N159237 | |
| Certificate of Analysis | Sep 08, 2022 | N159237 | |
| Certificate of Analysis | Sep 08, 2022 | N159237 | |
| Certificate of Analysis | Sep 08, 2022 | N159237 | |
| Certificate of Analysis | Sep 08, 2022 | N159237 | |
| Certificate of Analysis | Sep 08, 2022 | N159237 |
| Sensitivity | Air Sensitive |
|---|---|
| Melt Point(°C) | 113 °C |
| Molecular Weight | 247.200 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 246.991 Da |
| Monoisotopic Mass | 246.991 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 307.000 |
| 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 |