≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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(=CC(=C1)Cl)C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile |
| InChIKey | QPWWAOMXYPIDOY-UHFFFAOYSA-N |
| INCHI | 1S/C18H8ClF6N3/c19-10-3-1-2-9(6-10)12(8-26)14-5-4-11-13(17(20,21)22)7-15(18(23,24)25)28-16(11)27-14/h1-7,12H |
| Isomeric SMILES | C1=CC(=CC(=C1)Cl)C(C#N)C2=NC3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F |
| PubChem CID | 3803930 |
| Molecular Weight | 415.72 |
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 | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridines |
| Alternative Parents | Chlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organonitrogen compound - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 415.700 g/mol |
|---|---|
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 415.031 Da |
| Monoisotopic Mass | 415.031 Da |
| Topological Polar Surface Area | 49.600 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 600.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(3-chlorophenyl)acetonitrile - ≥99% CAS No(478043-30-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B1018314.jpg)