≥97%(GC) 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.
Electron attachment to pentafluoronitrobenzene has been studied in the energy range 0-16eV by means of a crossed electron-molecular beam experiment with mass spectrometric detection of the anions. The electroreduction of pentafluoronitrobenzene in dimethylformamide solution results in the formation of the dimer, octafluoro-4,4′-dinitro-biphenyl.
| Pubchem Sid | 488184489 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184489 |
| Canonical Smiles | C1(=C(C(=C(C(=C1F)F)F)F)F)[N+](=O)[O-] |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-nitrobenzene |
| InChIKey | INUOFQAJCYUOJR-UHFFFAOYSA-N |
| INCHI | 1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9 |
| Isomeric SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)[N+](=O)[O-] |
| WGK Germany | 3 |
| PubChem CID | 70154 |
| Molecular Weight | 213.06 |
| Reaxy-Rn | 1883097 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Refractive Index | 1.45 |
|---|---|
| Flash Point(°F) | 195.8 °F |
| Flash Point(°C) | 91°C(lit.) |
| Boil Point(°C) | 160°C |
| Molecular Weight | 213.060 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 212.985 Da |
| Monoisotopic Mass | 212.985 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
B2323363