≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Canonical Smiles | C1=CC(=CC=C1CCN)C(F)(F)F.Cl |
|---|---|
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]ethanamine;hydrochloride |
| InChIKey | MAPCNSROFGNSAV-UHFFFAOYSA-N |
| INCHI | 1S/C9H10F3N.ClH/c10-9(11,12)8-3-1-7(2-4-8)5-6-13;/h1-4H,5-6,13H2;1H |
| Isomeric SMILES | C1=CC(=CC=C1CCN)C(F)(F)F.Cl |
| PubChem CID | 20847992 |
| Molecular Weight | 225.64 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Phenethylamines 2-arylethylamines Aralkylamines Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Phenethylamine - 2-arylethylamine - Aralkylamine - Alkyl fluoride - Hydrochloride - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 225.640 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 225.053 Da |
| Monoisotopic Mass | 225.053 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 | 2 |
H2501613