≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Sonrisas canónicas | C1=CC(=C(C=C1CC#N)C(F)(F)F)N |
|---|---|
| IUPAC Name | 2-[4-amino-3-(trifluoromethyl)phenyl]acetonitrile |
| InChIKey | YDXIMGPJJXVQJF-UHFFFAOYSA-N |
| INCHI | 1S/C9H7F3N2/c10-9(11,12)7-5-6(3-4-13)1-2-8(7)14/h1-2,5H,3,14H2 |
| Peso molecular | 200.16 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzyl cyanides Aniline and substituted anilines Nitriles Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzyl-cyanide - Aniline or substituted anilines - Carbonitrile - Nitrile - Alkyl fluoride - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Peso molecular | 200.160 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 200.056 Da |
| Monoisotopic Mass | 200.056 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| 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 |
![2-[4-Amino-3-(trifluoromethyl)phenyl]acetonitrile - ≥98% , CAS No.854273-16-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)