≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CN(C)C=CC(=O)C1=C(C=C(C=N1)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | (E)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-en-1-one |
| InChIKey | RGCJSYSZVRNNLN-ONEGZZNKSA-N |
| INCHI | 1S/C11H10ClF3N2O/c1-17(2)4-3-9(18)10-8(12)5-7(6-16-10)11(13,14)15/h3-6H,1-2H3/b4-3+ |
| Isomeric SMILES | CN(C)/C=C/C(=O)C1=C(C=C(C=N1)C(F)(F)F)Cl |
| PubChem CID | 1472835 |
| Molecular Weight | 278.66 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Aryl ketones |
| Alternative Parents | Pyridines and derivatives Aryl chlorides Vinylogous halides Vinylogous amides Acryloyl compounds Heteroaromatic compounds Enones Trialkylamines Allylamines Azacyclic compounds Enamines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl ketone - Aryl chloride - Aryl halide - Pyridine - Acryloyl-group - Enone - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Alpha,beta-unsaturated ketone - Tertiary amine - Tertiary aliphatic amine - Enamine - Allylamine - Azacycle - Organoheterocyclic compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Alkyl halide - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group. |
| External Descriptors | Not available |
| Molecular Weight | 278.660 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 278.043 Da |
| Monoisotopic Mass | 278.043 Da |
| Topological Polar Surface Area | 33.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 331.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![(E)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)-2-propen-1-one - ≥90% CAS No(1107035-71-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/9/E951008.jpg)