≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1CNCC2=C1C(=CC(=C2)Cl)Cl |
|---|---|
| IUPAC Name | 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline |
| InChIKey | QCSLOZFEMQTPJA-UHFFFAOYSA-N |
| INCHI | 1S/C9H9Cl2N/c10-7-3-6-5-12-2-1-8(6)9(11)4-7/h3-4,12H,1-2,5H2 |
| Isomeric SMILES | C1CNCC2=C1C(=CC(=C2)Cl)Cl |
| Alternate CAS | 89315-56-0；73075-47-5 |
| Molecular Weight | 202.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Tetrahydroisoquinolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrahydroisoquinolines |
| Alternative Parents | Aralkylamines Benzenoids Aryl chlorides Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
| External Descriptors | Not available |
| Boil Point(°C) | 308.2±42.0°C |
|---|---|
| Molecular Weight | 202.080 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 201.011 Da |
| Monoisotopic Mass | 201.011 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
K2517457