≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Description
3-(4-Chlorophenoxy)benzaldehyde has been investigated for anti-tumour activity.3-(4-Chlorophenoxy)benzaldehyde was used in the synthesis of fatty acid amide hydrolase inhibitors bearing spirocyclic diamine cores.
| Canonical Smiles | C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)C=O |
|---|---|
| IUPAC Name | 3-(4-chlorophenoxy)benzaldehyde |
| InChIKey | MYQFRCYBOOWGJQ-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H |
| Isomeric SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)C=O |
| Molecular Weight | 232.66 |
| Reaxy-Rn | 4310989 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4310989&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Phenoxy compounds Phenol ethers Benzoyl derivatives Benzaldehydes Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Phenoxy compound - Benzaldehyde - Phenol ether - Benzoyl - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 |
| Sensitivity | Miosture sensitive |
|---|---|
| Refractive Index | n20/D 1.608 (lit.) |
| Flash Point(°C) | > 113.00 °C - closed cup |
| Boil Point(°C) | 125℃/0.1mmHg (lit.) |
| Molecular Weight | 232.660 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 232.029 Da |
| Monoisotopic Mass | 232.029 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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 |
