≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC(C1=CC=CC=C1)NC(C)C2=CC=C(C=C2)C(F)(F)F.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
|---|---|
| IUPAC Name | (1R)-1-phenyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine;phthalic acid |
| InChIKey | GHYBRLKVHRNSJN-OJERSXHUSA-N |
| INCHI | 1S/C17H18F3N.C8H6O4/c1-12(14-6-4-3-5-7-14)21-13(2)15-8-10-16(11-9-15)17(18,19)20;9-7(10)5-3-1-2-4-6(5)8(11)12/h3-13,21H,1-2H3;1-4H,(H,9,10)(H,11,12)/t12-,13-;/m1./s1 |
| Isomeric SMILES | C[C@H](C1=CC=CC=C1)N[C@H](C)C2=CC=C(C=C2)C(F)(F)F.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| PubChem CID | 71650776 |
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 | Benzoic acids Benzoyl derivatives Aralkylamines Dialkylamines Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aralkylamine - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - 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 | 459.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 459.166 Da |
| Monoisotopic Mass | 459.166 Da |
| Topological Polar Surface Area | 86.600 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
