≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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(=C(C=C1C2=CC(=C(C=C2)N)C(F)(F)F)C(F)(F)F)N |
|---|---|
| IUPAC Name | 4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline |
| InChIKey | PJWQLRKRVISYPL-UHFFFAOYSA-N |
| INCHI | 1S/C14H10F6N2/c15-13(16,17)9-5-7(1-3-11(9)21)8-2-4-12(22)10(6-8)14(18,19)20/h1-6H,21-22H2 |
| Isomeric SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(F)(F)F)C(F)(F)F)N |
| Molecular Weight | 320.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Benzidines |
| Direct Parent | 3,3'-disubstituted benzidines |
| Alternative Parents | Trifluoromethylbenzenes Aniline and substituted anilines Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3,3'-disubstituted benzidine - Trifluoromethylbenzene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions. |
| External Descriptors | Not available |
| Melt Point(°C) | 180-181° |
|---|---|
| Molecular Weight | 320.230 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 320.075 Da |
| Monoisotopic Mass | 320.075 Da |
| Topological Polar Surface Area | 52.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 345.000 |
| 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 |
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