≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
The product has been used in a Mn-catalyzed cross-coupling with aryl- and alkylmagnesium halides. It has also been used in a Pd-catalyzed cross-coupling with heteroaryl boronic acids and esters. Furthermore, it has been used in a homocoupling reaction to yield bis-isoquinoline, each enantiomer of which might be very useful as a chiral ligand for asymmetric synthesis.
| Canonical Smiles | C1=CC=C2C(=C1)C=CN=C2Cl |
|---|---|
| IUPAC Name | 1-chloroisoquinoline |
| InChIKey | MSQCQINLJMEVNJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H6ClN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H |
| Isomeric SMILES | C1=CC=C2C(=C1)C=CN=C2Cl |
| WGK Germany | 3 |
| Molecular Weight | 163.6 |
| Beilstein | 20(5)7,361 |
| Reaxy-Rn | 2996 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2996&ln= |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolines and derivatives |
| Alternative Parents | 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinoline - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. |
| 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 |
|---|---|---|---|
 I2203070 | Certificate of Analysis | Jun 11, 2026 | C103592 |
| I2203071 | Certificate of Analysis | Jun 11, 2026 | C103592 |
| I2203072 | Certificate of Analysis | Jun 11, 2026 | C103592 |
| H2204381 | Certificate of Analysis | May 18, 2026 | C103592 |
| L2409307 | Certificate of Analysis | Jul 12, 2024 | C103592 |
| K1926120 | Certificate of Analysis | Sep 11, 2023 | C103592 |
| H2204379 | Certificate of Analysis | Aug 13, 2022 | C103592 |
| H2204380 | Certificate of Analysis | Aug 13, 2022 | C103592 |
| H2527066 | Certificate of Analysis | Aug 13, 2022 | C103592 |
| Solubility | Insoluble in water. |
|---|---|
| Sensitivity | Moisture & heat & air sensitive |
| Flash Point(°F) | >110°C |
| Flash Point(°C) | >110°C |
| Boil Point(°C) | 274-275°C |
| Melt Point(°C) | 35-37°C |
| Molecular Weight | 163.600 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 163.019 Da |
| Monoisotopic Mass | 163.019 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| 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 |
