Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 488200822 |
|---|---|
| Canonical Smiles | C1=CC(=C(N=C1)C(F)(F)F)C#N |
| IUPAC Name | 2-(trifluoromethyl)pyridine-3-carbonitrile |
| InChIKey | APSXEJUOOOHRGS-UHFFFAOYSA-N |
| INCHI | 1S/C7H3F3N2/c8-7(9,10)6-5(4-11)2-1-3-12-6/h1-3H |
| Isomeric SMILES | C1=CC(=C(N=C1)C(F)(F)F)C#N |
| PubChem CID | 26986387 |
| Molecular Weight | 172.11 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | 3-pyridinecarbonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-pyridinecarbonitriles |
| Alternative Parents | Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-pyridinecarbonitrile - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 05, 2026 | T469766 | |
| Certificate of Analysis | Feb 05, 2026 | T469766 | |
| Certificate of Analysis | Feb 05, 2026 | T469766 | |
| Certificate of Analysis | Feb 05, 2026 | T469766 | |
| Certificate of Analysis | Feb 05, 2026 | T469766 | |
| Certificate of Analysis | Feb 05, 2026 | T469766 |
| Refractive Index | 1.4641 |
|---|---|
| Flash Point(°C) | > 110 °C |
| Molecular Weight | 172.110 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 172.025 Da |
| Monoisotopic Mass | 172.025 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| 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 |