Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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.
| Pubchem Sid | 504759003 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759003 |
| Sonrisas canónicas | C1=CC(=CC(=C1)OC(F)(F)F)CC#N |
| IUPAC Name | 2-[3-(trifluoromethoxy)phenyl]acetonitrile |
| InChIKey | WZLPHJZVNJXHPV-UHFFFAOYSA-N |
| INCHI | 1S/C9H6F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2 |
| Isómeros SMILES | C1=CC(=CC(=C1)OC(F)(F)F)CC#N |
| PubChem CID | 517906 |
| Peso molecular | 201.15 |
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 | Benzyl cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyl cyanides |
| Alternative Parents | Phenoxy compounds Phenol ethers Trihalomethanes Nitriles Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyl-cyanide - Phenoxy compound - Phenol ether - Trihalomethane - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Halomethane - Organopnictogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl 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 | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Sep 15, 2023 | T586333 | |
| Certificate of Analysis | Sep 15, 2023 | T586333 | |
| Certificate of Analysis | Sep 15, 2023 | T586333 | |
| Certificate of Analysis | Sep 15, 2023 | T586333 | |
| Certificate of Analysis | Sep 15, 2023 | T586333 | |
| Certificate of Analysis | Sep 15, 2023 | T586333 |
| Índice de refracción | 1.4480 |
|---|---|
| Peso molecular | 201.140 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 201.04 Da |
| Monoisotopic Mass | 201.04 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 230.000 |
| 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 |