≥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.
| Sonrisas canónicas | C1=CC=C(C(=C1)C#N)C2=CC(=C(C=C2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 2-[3-chloro-4-(trifluoromethyl)phenyl]benzonitrile |
| InChIKey | HDTLTLZXHZXSDZ-UHFFFAOYSA-N |
| INCHI | 1S/C14H7ClF3N/c15-13-7-9(5-6-12(13)14(16,17)18)11-4-2-1-3-10(11)8-19/h1-7H |
| Isómeros SMILES | C1=CC=C(C(=C1)C#N)C2=CC(=C(C=C2)C(F)(F)F)Cl |
| PubChem CID | 18517135 |
| Peso molecular | 281.66 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenylcarbonitriles |
| Alternative Parents | Chlorinated biphenyls Trifluoromethylbenzenes Benzonitriles Chlorobenzenes Aryl chlorides Nitriles Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenylcarbonitrile - Chlorinated biphenyl - Trifluoromethylbenzene - Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbonitrile - Nitrile - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group. |
| External Descriptors | Not available |
| Peso molecular | 281.660 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 281.022 Da |
| Monoisotopic Mass | 281.022 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 359.000 |
| 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 |
