≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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=CC(=C(C=C1NC2=C3C=C(C=C(C3=NC=C2C#N)Cl)[N+](=O)[O-])Cl)F |
|---|---|
| IUPAC Name | 8-chloro-4-(3-chloro-4-fluoroanilino)-6-nitroquinoline-3-carbonitrile |
| InChIKey | LFDNSZIZKAKRBT-UHFFFAOYSA-N |
| INCHI | 1S/C16H7Cl2FN4O2/c17-12-3-9(1-2-14(12)19)22-15-8(6-20)7-21-16-11(15)4-10(23(24)25)5-13(16)18/h1-5,7H,(H,21,22) |
| Isomeric SMILES | C1=CC(=C(C=C1NC2=C3C=C(C=C(C3=NC=C2C#N)Cl)[N+](=O)[O-])Cl)F |
| PubChem CID | 17758820 |
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 | Nitroquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitroquinolines and derivatives |
| Alternative Parents | 4-aminoquinolines Chloroquinolines Aniline and substituted anilines Nitroaromatic compounds Aminopyridines and derivatives Chlorobenzenes Fluorobenzenes Primary aromatic amines Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organofluorides Organic salts Organochlorides Organic oxides Organic zwitterions Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroquinoline - Aminoquinoline - 4-aminoquinoline - Haloquinoline - Chloroquinoline - Nitroaromatic compound - Aniline or substituted anilines - Aminopyridine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Pyridine - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Secondary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Organic oxoazanium - Nitrile - Organic zwitterion - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Amine - Organic salt - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety. |
| External Descriptors | Not available |
| Molecular Weight | 377.200 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 375.993 Da |
| Monoisotopic Mass | 375.993 Da |
| Topological Polar Surface Area | 94.500 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 554.000 |
| 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 |
![3-Quinolinecarbonitrile, 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-nitro- - ≥98% , CAS No.915369-47-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)