Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=C1CC=O)Cl)Cl |
|---|---|
| IUPAC Name | 2-(3,4-dichlorophenyl)acetaldehyde |
| InChIKey | IGCIXTSHNCIYBP-UHFFFAOYSA-N |
| INCHI | 1S/C8H6Cl2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,4-5H,3H2 |
| Isómeros SMILES | C1=CC(=C(C=C1CC=O)Cl)Cl |
| PubChem CID | 11171470 |
| Peso molecular | 189.04 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylacetaldehydes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylacetaldehydes |
| Alternative Parents | Dichlorobenzenes Aryl chlorides Alpha-hydrogen aldehydes Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylacetaldehyde - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Alpha-hydrogen aldehyde - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aldehyde - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. |
| External Descriptors | Not available |
| Peso molecular | 189.040 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 187.98 Da |
| Monoisotopic Mass | 187.98 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| 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 |