≥97% 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=C1C#N)OC(F)(F)F)Cl |
|---|---|
| IUPAC Name | 4-chloro-3-(trifluoromethoxy)benzonitrile |
| InChIKey | ODWSOYAYOGSZIG-UHFFFAOYSA-N |
| INCHI | 1S/C8H3ClF3NO/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3H |
| Isómeros SMILES | C1=CC(=C(C=C1C#N)OC(F)(F)F)Cl |
| Peso molecular | 221.57 |
| Reaxy-Rn | 39563263 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39563263&ln= |
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 | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzonitriles Chlorobenzenes Aryl chlorides Trihalomethanes Nitriles Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzonitrile - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Carbonitrile - Nitrile - Alkyl fluoride - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 36-38°C |
|---|---|
| Peso molecular | 221.560 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 220.986 Da |
| Monoisotopic Mass | 220.986 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 247.000 |
| 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 |
