≥98% 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.
| Pubchem Sid | 504751174 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751174 |
| Canonical Smiles | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)O |
| IUPAC Name | (5-chloro-2-hydroxyphenyl)-phenylmethanone |
| InChIKey | OMWSZDODENFLSV-UHFFFAOYSA-N |
| INCHI | 1S/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)O |
| Molecular Weight | 232.66 |
| Reaxy-Rn | 1212666 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1212666&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 | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Diphenylmethanes Aryl-phenylketones P-chlorophenols Benzoyl derivatives Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - 4-chlorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous acid - Ketone - 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 benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Melt Point(°C) | 96-98°C |
|---|---|
| Molecular Weight | 232.660 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 232.029 Da |
| Monoisotopic Mass | 232.029 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| 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 |
| 1. Hao Lin, Shaowei Wang, Yunbing Tang, Zhiyan Hu, Xiaofang Chen, Huitao Li, Yang Zhu, Yiyan Wang, Yi Liu, Ren-shan Ge. (2023) Benzophenone-type ultraviolet filters inhibit human and rat placental 3β-hydroxysteroid dehydrogenases: Structure-activity relationship and in silico docking analysis. TOXICOLOGY LETTERS, [PMID:37217011] [10.1016/j.toxlet.2023.05.006] |
| 2. Yanping Li, Haoran Liu, Ronghao Fang, Jiamin Jin, Feng Yang, Jian Chen, Juzheng Zhang. (2024) Designing novel Au(III) complexes based on the structure of diazepam: Achieving a multiaction mechanism against glioma. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, [PMID:39705733] [10.1016/j.ejmech.2024.117171] |
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