≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Reactant involved in the synthesis of: 1.Pyrrole-3-carboxylic acids. 2.N-aryl-N-thiazolyl compounds via the Hantzsch reaction. 3.Disubstituted oxadiazolylindole derivatives with antiinflammatory, analgesic and nitric oxide releasing activity. 4.Anilino-aryl-thiazoles with inhibitory activity toward valosin-containing proteins. 5.Tyrosine kinase erythropoietin inhibitors. 6.E. coli methionine aminopeptidase inhibitors.
| Pubchem Sid | 508808296 |
|---|---|
| Sonrisas canónicas | C1=CC(=CC(=C1)O)C(=O)CBr |
| IUPAC Name | 2-bromo-1-(3-hydroxyphenyl)ethanone |
| InChIKey | IEPSGFQQGKPTPM-UHFFFAOYSA-N |
| INCHI | 1S/C8H7BrO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5H2 |
| Isómeros SMILES | C1=CC(=CC(=C1)O)C(=O)CBr |
| WGK Alemania | 3 |
| Peso molecular | 215.04 |
| Reaxy-Rn | 1941314 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1941314&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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Organic oxide - Organobromide - Organohalogen compound - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 70-74°C |
|---|---|
| Peso molecular | 215.040 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 213.963 Da |
| Monoisotopic Mass | 213.963 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
F1430037