≥98% 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.
| Pubchem Sid | 488188814 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188814 |
| Sonrisas canónicas | CC1=CC(=C(C=C1F)[N+](=O)[O-])F |
| IUPAC Name | 1,4-difluoro-2-methyl-5-nitrobenzene |
| InChIKey | ABWWQMGGJXKGBL-UHFFFAOYSA-N |
| INCHI | 1S/C7H5F2NO2/c1-4-2-6(9)7(10(11)12)3-5(4)8/h2-3H,1H3 |
| Isómeros SMILES | CC1=CC(=C(C=C1F)[N+](=O)[O-])F |
| Peso molecular | 173.12 |
| Reaxy-Rn | 5427692 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5427692&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitrotoluenes 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 - Nitrotoluene - Nitroaromatic compound - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 I1916034 | Certificate of Analysis | Jul 07, 2023 | D189015 |
| K22171028 | Certificate of Analysis | Oct 17, 2022 | D189015 |
| K2217887 | Certificate of Analysis | Oct 17, 2022 | D189015 |
| K2217904 | Certificate of Analysis | Oct 17, 2022 | D189015 |
| K2217910 | Certificate of Analysis | Oct 17, 2022 | D189015 |
| K2217925 | Certificate of Analysis | Oct 17, 2022 | D189015 |
| K2217931 | Certificate of Analysis | Oct 17, 2022 | D189015 |
| K2217946 | Certificate of Analysis | Oct 17, 2022 | D189015 |
| K2217996 | Certificate of Analysis | Oct 17, 2022 | D189015 |
| Punto de inflamación (°C) | 121 °C |
|---|---|
| Punto de fusión (°C) | 25 °C |
| Peso molecular | 173.120 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 173.029 Da |
| Monoisotopic Mass | 173.029 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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 |
