≥97% 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.
| Sonrisas canónicas | CC1(CCC(=C(C1)Cl)C=O)C |
|---|---|
| IUPAC Name | 2-chloro-4,4-dimethylcyclohexene-1-carbaldehyde |
| InChIKey | BSXRPCFOXBDGBC-UHFFFAOYSA-N |
| INCHI | 1S/C9H13ClO/c1-9(2)4-3-7(6-11)8(10)5-9/h6H,3-5H2,1-2H3 |
| Isómeros SMILES | CC1(CCC(=C(C1)Cl)C=O)C |
| PubChem CID | 86642872 |
| Peso molecular | 172.65 |
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 | Organohalogen compounds |
| Clase | Vinyl halides |
| Subclass | Vinylogous halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Vinylogous halides |
| Alternative Parents | Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Vinylogous halide - Chloroalkene - Haloalkene - Vinyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as vinylogous halides. These are organic compounds containing a halogen atom, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety. |
| External Descriptors | Not available |
| Peso molecular | 172.650 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 172.065 Da |
| Monoisotopic Mass | 172.065 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| 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 |
