≥98% 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.
| Pubchem Sid | 504761352 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504761352 |
| Canonical Smiles | C1=CC(=C(C(=C1[N+](=O)[O-])F)C#N)F |
| IUPAC Name | 2,6-difluoro-3-nitrobenzonitrile |
| InChIKey | JQHDRFKDZHGEBQ-UHFFFAOYSA-N |
| INCHI | 1S/C7H2F2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H |
| Isomeric SMILES | C1=CC(=C(C(=C1[N+](=O)[O-])F)C#N)F |
| Molecular Weight | 184.1 |
| Beilstein | 5431828 |
| Reaxy-Rn | 5431828 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5431828&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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Benzonitriles Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K1816124 | Certificate of Analysis | Jun 11, 2026 | D120890 |
| K1816123 | Certificate of Analysis | Jun 11, 2026 | D120890 |
| I1416033 | Certificate of Analysis | Apr 15, 2026 | D120890 |
| I1423025 | Certificate of Analysis | Apr 15, 2026 | D120890 |
| G1401046 | Certificate of Analysis | Jan 27, 2026 | D120890 |
| E1822137 | Certificate of Analysis | Jan 05, 2026 | D120890 |
| E1822138 | Certificate of Analysis | Jan 05, 2026 | D120890 |
| D2418229 | Certificate of Analysis | Mar 25, 2024 | D120890 |
| D2418230 | Certificate of Analysis | Mar 25, 2024 | D120890 |
| Melt Point(°C) | 51-54°C |
|---|---|
| Molecular Weight | 184.100 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 184.008 Da |
| Monoisotopic Mass | 184.008 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 257.000 |
| 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 |
