≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1=CC2=C(N=C(C=C2C=C1Br)N)Br |
|---|---|
| IUPAC Name | 1,6-dibromoisoquinolin-3-amine |
| InChIKey | QWCRSSNILAZCCN-UHFFFAOYSA-N |
| INCHI | 1S/C9H6Br2N2/c10-6-1-2-7-5(3-6)4-8(12)13-9(7)11/h1-4H,(H2,12,13) |
| Isomeric SMILES | C1=CC2=C(N=C(C=C2C=C1Br)N)Br |
| Molecular Weight | 302 |
| Reaxy-Rn | 11057942 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11057942&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 | Quinolines and derivatives |
| Subclass | Aminoquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminoquinolines and derivatives |
| Alternative Parents | Isoquinolines and derivatives Aminopyridines and derivatives 2-halopyridines Imidolactams Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminoquinoline - Isoquinoline - Aminopyridine - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system. |
| External Descriptors | Not available |
| Molecular Weight | 301.960 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 301.888 Da |
| Monoisotopic Mass | 299.89 Da |
| Topological Polar Surface Area | 38.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |
