≥98%(HPLC)(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| Canonical Smiles | CN1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F |
|---|---|
| IUPAC Name | 1-(5-fluoro-2,4-dinitrophenyl)-4-methylpiperazine |
| InChIKey | SSBAFRIGYXRBRK-UHFFFAOYSA-N |
| INCHI | 1S/C11H13FN4O4/c1-13-2-4-14(5-3-13)10-6-8(12)9(15(17)18)7-11(10)16(19)20/h6-7H,2-5H2,1H3 |
| Isomeric SMILES | CN1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F |
| Molecular Weight | 284.25 |
| Reaxy-Rn | 26644943 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26644943&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dinitroanilines |
| Alternative Parents | Phenylpiperazines N-arylpiperazines Nitrobenzenes Dialkylarylamines Nitroaromatic compounds Fluorobenzenes N-methylpiperazines Aryl fluorides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dinitroaniline - Phenylpiperazine - N-arylpiperazine - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fluorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl halide - Aryl fluoride - Piperazine - 1,4-diazinane - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic zwitterion - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group. |
| External Descriptors | Not available |
| Sensitivity | Heat Sensitive |
|---|---|
| Melt Point(°C) | 115 °C |
| Molecular Weight | 284.240 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 284.092 Da |
| Monoisotopic Mass | 284.092 Da |
| Topological Polar Surface Area | 98.100 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 378.000 |
| 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 |
