Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% 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.
| Sonrisas canónicas | C1=CC2=C(C=CN=C2Cl)C(=C1)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 1-chloro-5-nitroisoquinoline |
| InChIKey | ABMIIJPKPFSMLK-UHFFFAOYSA-N |
| INCHI | 1S/C9H5ClN2O2/c10-9-7-2-1-3-8(12(13)14)6(7)4-5-11-9/h1-5H |
| Isómeros SMILES | C1=CC2=C(C=CN=C2Cl)C(=C1)[N+](=O)[O-] |
| CAS alternativo | 58142-97-5 |
| PubChem CID | 459774 |
| Peso molecular | 208.60 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoquinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolines and derivatives |
| Alternative Parents | Nitroaromatic compounds 2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinoline - Nitroaromatic compound - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 | |
| Certificate of Analysis | Jun 07, 2024 | C635984 |
| Peso molecular | 208.600 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 208.004 Da |
| Monoisotopic Mass | 208.004 Da |
| Topological Polar Surface Area | 58.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |