≥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 | CCC(C)CN(C)C1=C(C=C(C=C1)F)C=O |
|---|---|
| IUPAC Name | 5-fluoro-2-[methyl(2-methylbutyl)amino]benzaldehyde |
| InChIKey | NUNWRCUUGSWTDA-UHFFFAOYSA-N |
| INCHI | 1S/C13H18FNO/c1-4-10(2)8-15(3)13-6-5-12(14)7-11(13)9-16/h5-7,9-10H,4,8H2,1-3H3 |
| Isomeric SMILES | CCC(C)CN(C)C1=C(C=C(C=C1)F)C=O |
| PubChem CID | 43312993 |
| Molecular Weight | 223.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Dialkylarylamines Benzaldehydes Aniline and substituted anilines Fluorobenzenes Aryl fluorides Vinylogous amides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzaldehyde - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Aryl-aldehyde - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous amide - Tertiary amine - Organofluoride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
| Molecular Weight | 223.290 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 223.137 Da |
| Monoisotopic Mass | 223.137 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 222.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
