≥95% 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=CC(=C(C=C1[N+](=O)[O-])C(=O)OC)F |
|---|---|
| IUPAC Name | methyl 2-fluoro-4-methyl-5-nitrobenzoate |
| InChIKey | GBECACDDVVYBHV-UHFFFAOYSA-N |
| INCHI | 1S/C9H8FNO4/c1-5-3-7(10)6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])C(=O)OC)F |
| PubChem CID | 68202727 |
| Molecular Weight | 213.16 |
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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Tertiary amines |
| Direct Parent | Triarylamines |
| Alternative Parents | Benzoic acid esters 2-halobenzoic acids and derivatives Methoxyanilines Nitroaromatic compounds Benzoyl derivatives Fluorobenzenes Fatty acid esters Vinylogous halides Methyl esters Enoate esters Trialkylamines Amino acids and derivatives Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Fluoroalkenes Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tertiary aromatic amine - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoate ester - Methoxyaniline - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Halobenzene - Fluorobenzene - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Organic nitro compound - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid or derivatives - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen. |
| External Descriptors | Not available |
| Molecular Weight | 213.160 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 213.044 Da |
| Monoisotopic Mass | 213.044 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 265.000 |
| 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 |
