≥97% 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 | CNCC1=CC(=CC(=C1)Cl)Cl.Cl |
|---|---|
| IUPAC Name | 1-(3,5-dichlorophenyl)-N-methylmethanamine;hydrochloride |
| InChIKey | YMCOTVZJEIJWKV-UHFFFAOYSA-N |
| INCHI | 1S/C8H9Cl2N.ClH/c1-11-5-6-2-7(9)4-8(10)3-6;/h2-4,11H,5H2,1H3;1H |
| Isomeric SMILES | CNCC1=CC(=CC(=C1)Cl)Cl.Cl |
| PubChem CID | 174805 |
| Molecular Weight | 226.5 |
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 | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines Aryl chlorides Dialkylamines Organopnictogen compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzylamine - 1,3-dichlorobenzene - Phenylmethylamine - Aralkylamine - Aryl halide - Aryl chloride - Secondary amine - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
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| Molecular Weight | 226.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 224.988 Da |
| Monoisotopic Mass | 224.988 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 109.000 |
| 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 |
