≥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 | C1C(C(CN1)C2=C(C=C(C=C2)Cl)F)CO.Cl |
|---|---|
| IUPAC Name | [(3S,4R)-4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride |
| InChIKey | JDOAESPIZHAEGR-XQRIHRDZSA-N |
| INCHI | 1S/C11H13ClFNO.ClH/c12-8-1-2-9(11(13)3-8)10-5-14-4-7(10)6-15;/h1-3,7,10,14-15H,4-6H2;1H/t7-,10+;/m0./s1 |
| Isomeric SMILES | C1[C@H]([C@@H](CN1)C2=C(C=C(C=C2)Cl)F)CO.Cl |
| PubChem CID | 46736995 |
| Molecular Weight | 266.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Fluorobenzenes Chlorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Pyrroles 1,3-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organofluorides Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyrrolidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organic nitrogen compound - Amine - Alcohol - Primary alcohol - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 266.140 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 265.044 Da |
| Monoisotopic Mass | 265.044 Da |
| Topological Polar Surface Area | 32.299 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![[(3S,4R)-4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol hydrochloride - ≥97% , CAS No.1217818-45-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)