≥95% 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.
| Canonical Smiles | C1=CC(=C(C=C1C(=O)CN)Cl)Cl.Cl |
|---|---|
| IUPAC Name | 2-amino-1-(3,4-dichlorophenyl)ethanone;hydrochloride |
| InChIKey | IDRFAFYEURFRFD-UHFFFAOYSA-N |
| INCHI | 1S/C8H7Cl2NO.ClH/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-3H,4,11H2;1H |
| Isomeric SMILES | C1=CC(=C(C=C1C(=O)CN)Cl)Cl.Cl |
| Alternate CAS | 41995-19-1 |
| PubChem CID | 13724064 |
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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides Alpha-amino ketones Organochlorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - 1,2-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Organohalogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Primary amine - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 240.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 238.967 Da |
| Monoisotopic Mass | 238.967 Da |
| Topological Polar Surface Area | 43.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 | 2 |
