≥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.
| Canonical Smiles | CC1=C(C=C(C=C1)[N+](=O)[O-])F |
|---|---|
| IUPAC Name | 2-fluoro-1-methyl-4-nitrobenzene |
| InChIKey | WIQISTBTOQNVCE-UHFFFAOYSA-N |
| INCHI | 1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])F |
| WGK Germany | 3 |
| Molecular Weight | 155.13 |
| Beilstein | 2250156 |
| Reaxy-Rn | 2250156 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2250156&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 | 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 |
| 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 |
|---|---|---|---|
 J2514153 | Certificate of Analysis | Oct 24, 2025 | F120684 |
| K2503701 | Certificate of Analysis | Oct 24, 2025 | F120684 |
| K2119364 | Certificate of Analysis | Sep 04, 2025 | F120684 |
| K2119365 | Certificate of Analysis | Sep 04, 2025 | F120684 |
| A1331021 | Certificate of Analysis | Jan 20, 2025 | F120684 |
| H2402231 | Certificate of Analysis | Jun 11, 2024 | F120684 |
| H2402232 | Certificate of Analysis | Jun 11, 2024 | F120684 |
| I1905066 | Certificate of Analysis | Jun 12, 2023 | F120684 |
| Solubility | Insoluble in water. Solubility in methanol gives very faint turbidity |
|---|---|
| Sensitivity | Heat sensitive |
| Flash Point(°F) | 163.4 °F |
| Flash Point(°C) | 73°C |
| Boil Point(°C) | 56-58°C/1mmHg |
| Melt Point(°C) | 32-37°C |
| Molecular Weight | 155.130 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 155.038 Da |
| Monoisotopic Mass | 155.038 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
