≥95% 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.
| Canonical Smiles | C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)F)O)F |
|---|---|
| IUPAC Name | 1,2-bis(4-fluorophenyl)-2-hydroxyethanone |
| InChIKey | VGZHWXAFILGMSR-UHFFFAOYSA-N |
| INCHI | 1S/C14H10F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13,17H |
| Isomeric SMILES | C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)F)O)F |
| Alternate CAS | 53458-16-5 |
| PubChem CID | 103786 |
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 |
| Class | Stilbenes |
| Subclass | Benzoins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoins |
| Alternative Parents | Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Acyloins Alpha-hydroxy ketones Secondary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoin - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Fluorobenzene - Halobenzene - Acyloin - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Ketone - Secondary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups. |
| External Descriptors | Not available |
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| Molecular Weight | 248.220 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 248.065 Da |
| Monoisotopic Mass | 248.065 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
