≥98%(GC) 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4-Phenoxybenzonitrile can be prepared from the tris(3,6-dioxaheptyl)amine-catalyzed nucleophilic aromatic substitution reaction of 4-chlorobenzonitrile with phenol. It can also be prepared by reacting 4-cyanophenol, iodobenzene and CsF/Clinoptilolite (CsF/CP) in DMSO.
Application：
4-Phenoxybenzonitrile may be used to synthesize 5-(4-phenoxy)phenyltetrazole.
| Pubchem Sid | 488187967 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187967 |
| Canonical Smiles | C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N |
| IUPAC Name | 4-phenoxybenzonitrile |
| InChIKey | UYHCIOZMFCLUDP-UHFFFAOYSA-N |
| INCHI | 1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H |
| Isomeric SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N |
| WGK Germany | 3 |
| PubChem CID | 137821 |
| Molecular Weight | 195.22 |
| Beilstein | 10(4)442 |
| Reaxy-Rn | 2578538 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Phenoxy compounds Phenol ethers Benzonitriles Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzonitrile - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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 |
|---|---|---|---|
 D2326921 | Certificate of Analysis | May 10, 2023 | P160080 |
| D2326912 | Certificate of Analysis | Mar 21, 2023 | P160080 |
| D2326913 | Certificate of Analysis | Mar 21, 2023 | P160080 |
| D2326920 | Certificate of Analysis | Mar 21, 2023 | P160080 |
| D2326922 | Certificate of Analysis | Mar 21, 2023 | P160080 |
| D2326925 | Certificate of Analysis | Mar 21, 2023 | P160080 |
| D2326929 | Certificate of Analysis | Mar 21, 2023 | P160080 |
| D2326991 | Certificate of Analysis | Mar 21, 2023 | P160080 |
| E1920173 | Certificate of Analysis | Mar 08, 2023 | P160080 |
| Solubility | Soluble in Methanol |
|---|---|
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 174 °C/4 mmHg |
| Melt Point(°C) | 42-46 °C |
| Molecular Weight | 195.220 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 195.068 Da |
| Monoisotopic Mass | 195.068 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| 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 |
