≥97%(GC) 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.
| Pubchem Sid | 504755684 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755684 |
| Sorrisos canónicos | CC(C)(C)C(=O)CCl |
| IUPAC Name | 1-chloro-3,3-dimethylbutan-2-one |
| InChIKey | ULSAJQMHTGKPIY-UHFFFAOYSA-N |
| INCHI | 1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3 |
| SMILES isoméricas | CC(C)(C)C(=O)CCl |
| Peso molecular | 134.6 |
| Beilstein | 1(4)3313 |
| Reaxy-Rn | 1744162 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744162&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 | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Alpha-haloketones |
| Direct Parent | Alpha-chloroketones |
| Alternative Parents | Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine atom attached to the alpha carbon atom relative to C=O 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 | Data | Item |
|---|---|---|---|
 C23101017 | Certificate of Analysis | Feb 15, 2023 | C153945 |
| C2310968 | Certificate of Analysis | Feb 15, 2023 | C153945 |
| C2310969 | Certificate of Analysis | Feb 15, 2023 | C153945 |
| C2310970 | Certificate of Analysis | Feb 15, 2023 | C153945 |
| Solubilidade | Not miscible in water. |
|---|---|
| Índice de refração | 1.4415 |
| Ponto de inflamação (°C) | 67°C |
| Ponto de ebulição (°C) | 173°C |
| Peso molecular | 134.600 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 134.05 Da |
| Monoisotopic Mass | 134.05 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 91.200 |
| 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 |
