≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| ALogP | 3.566 |
|---|---|
| Rotatable Bond | 1 |
| Pubchem Sid | 504759817 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759817 |
| Canonical Smiles | C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl |
| IUPAC Name | (4-chlorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone |
| InChIKey | AFLIBHSYRRBBBP-UHFFFAOYSA-N |
| INCHI | 1S/C16H14ClNO/c17-15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2 |
| Isomeric SMILES | C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)Cl |
| PubChem CID | 668827 |
| Molecular Weight | 271.74 |
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 | Isoquinolines and derivatives |
| Subclass | Benzylisoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylisoquinolines |
| Alternative Parents | Tetrahydroisoquinolines 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzylisoquinoline - Tetrahydroisoquinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2222128 | Certificate of Analysis | Jul 10, 2025 | W416841 |
| I2222129 | Certificate of Analysis | Jul 10, 2025 | W416841 |
| I2222130 | Certificate of Analysis | Jul 10, 2025 | W416841 |
| I2222131 | Certificate of Analysis | Jul 10, 2025 | W416841 |
| I2222132 | Certificate of Analysis | Jul 10, 2025 | W416841 |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 271.740 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 271.076 Da |
| Monoisotopic Mass | 271.076 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 325.000 |
| 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 |
