≥99%(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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | (4-chlorophenyl) benzoate |
| InChIKey | JKSIXXOEIXUYFW-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H |
| Isómeros SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl |
| Peso molecular | 232.66 |
| Reaxy-Rn | 2050597 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050597&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 | Phenylpropanoids and polyketides |
| Clase | Depsides and depsidones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Depsides and depsidones |
| Alternative Parents | Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Carboxylic acid esters Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Depside backbone - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Carboxylic acid ester - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). |
| External Descriptors | Not available |
| Punto de fusión (°C) | 89 °C |
|---|---|
| Peso molecular | 232.660 g/mol |
| XLogP3 | 4.200 |
| 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 | 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 |
