≥90% 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 | C1CCN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC4=C(C=C3O)OCO4 |
|---|---|
| IUPAC Name | 6-[(3,4-dichlorophenyl)-pyrrolidin-1-ylmethyl]-1,3-benzodioxol-5-ol |
| InChIKey | PALXEUVWNGHGKV-UHFFFAOYSA-N |
| INCHI | 1S/C18H17Cl2NO3/c19-13-4-3-11(7-14(13)20)18(21-5-1-2-6-21)12-8-16-17(9-15(12)22)24-10-23-16/h3-4,7-9,18,22H,1-2,5-6,10H2 |
| Isomeric SMILES | C1CCN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC4=C(C=C3O)OCO4 |
| PubChem CID | 3309922 |
| Molecular Weight | 366.24 |
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 | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Dichlorobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids N-alkylpyrrolidines Aryl chlorides Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - 1,2-dichlorobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Acetal - Azacycle - Oxacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 366.200 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 365.059 Da |
| Monoisotopic Mass | 365.059 Da |
| Topological Polar Surface Area | 41.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 434.000 |
| 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 |
![6-[(3,4-Dichlorophenyl)(1-pyrrolidinyl)methyl]-1,3-benzodioxol-5-ol - ≥90% , CAS No.439110-78-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)