≥95% 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(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-phenylacetonitrile |
| InChIKey | HFUBHWSPCDGFND-UHFFFAOYSA-N |
| INCHI | 1S/C14H8ClF3N2/c15-12-6-10(14(16,17)18)8-20-13(12)11(7-19)9-4-2-1-3-5-9/h1-6,8,11H |
| Isomeric SMILES | C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=N2)C(F)(F)F)Cl |
| PubChem CID | 2773896 |
| Molecular Weight | 296.68 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridines and derivatives |
| Alternative Parents | Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Melt Point(°C) | 70-72 |
|---|---|
| Molecular Weight | 296.670 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 296.033 Da |
| Monoisotopic Mass | 296.033 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 370.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-phenylacetonitrile - ≥95% , CAS No.213994-27-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)