≥90% 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.
| Canonical Smiles | C1=CC=C(C(=C1)C#N)NC2=CC(=NC=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzonitrile |
| InChIKey | MVPYNHWFRJCGRZ-UHFFFAOYSA-N |
| INCHI | 1S/C13H8F3N3/c14-13(15,16)12-7-10(5-6-18-12)19-11-4-2-1-3-9(11)8-17/h1-7H,(H,18,19) |
| Isomeric SMILES | C1=CC=C(C(=C1)C#N)NC2=CC(=NC=C2)C(F)(F)F |
| PubChem CID | 1481195 |
| Molecular Weight | 263.22 |
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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Aniline and substituted anilines Aminopyridines and derivatives Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzonitrile - Aniline or substituted anilines - Aminopyridine - Pyridine - Heteroaromatic compound - Carbonitrile - Nitrile - Secondary amine - Organoheterocyclic compound - Azacycle - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
| Molecular Weight | 263.220 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.067 Da |
| Monoisotopic Mass | 263.067 Da |
| Topological Polar Surface Area | 48.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 347.000 |
| 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-{[2-(Trifluoromethyl)-4-pyridinyl]amino}benzenecarbonitrile - ≥90% , CAS No.551921-68-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)