≥97% 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.
| Sonrisas canónicas | C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)[N+](=O)[O-])C#N |
|---|---|
| IUPAC Name | 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitrobenzonitrile |
| InChIKey | GLSYQVSCEAQLCZ-UHFFFAOYSA-N |
| INCHI | 1S/C17H15FN4O2/c18-14-1-3-15(4-2-14)20-7-9-21(10-8-20)17-6-5-16(22(23)24)11-13(17)12-19/h1-6,11H,7-10H2 |
| Isómeros SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C=C(C=C3)[N+](=O)[O-])C#N |
| PubChem CID | 9281188 |
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 |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Nitrobenzenes Aniline and substituted anilines Benzonitriles Dialkylarylamines Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Organic salts Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Nitrobenzene - Nitroaromatic compound - Benzonitrile - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carbonitrile - Nitrile - Organic oxoazanium - Organic 1,3-dipolar compound - Amine - Cyanide - Organic oxygen compound - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 326.320 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 326.118 Da |
| Monoisotopic Mass | 326.118 Da |
| Topological Polar Surface Area | 76.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 487.000 |
| 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 |
![2-[4-(4-Fluorophenyl)piperazin-1-yl]-5-nitrobenzonitrile - ≥97% , CAS No.876536-53-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)