≥90%, stabilized with calcium carbonate 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.
Product Application：
3-Bromo-2-butanone is involved in the preparation of o-isopropyl S-3-oxobutan-2-yl dithiocarbonate by reaction with potassium o-isopropylxanthate, which on treatment with sulfuric acid gives 4,5-dimethyl-1,3-dithiol-2-one .
| Pubchem Sid | 488181796 |
|---|---|
| Canonical Smiles | CC(C(=O)C)Br |
| IUPAC Name | 3-bromobutan-2-one |
| InChIKey | BNBOUFHCTIFWHN-UHFFFAOYSA-N |
| INCHI | 1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3 |
| Isomeric SMILES | CC(C(=O)C)Br |
| WGK Germany | 2 |
| RTECS | EL7005000 |
| Molecular Weight | 151 |
| Reaxy-Rn | 906773 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906773&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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Alpha-haloketones |
| Alternative Parents | Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen 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 | Date | Item |
|---|---|---|---|
 A23301204 | Certificate of Analysis | Feb 03, 2023 | B195163 |
| A23301246 | Certificate of Analysis | Feb 03, 2023 | B195163 |
| A2331043 | Certificate of Analysis | Feb 03, 2023 | B195163 |
| A2331044 | Certificate of Analysis | Feb 03, 2023 | B195163 |
| A2331045 | Certificate of Analysis | Feb 03, 2023 | B195163 |
| A2331046 | Certificate of Analysis | Feb 03, 2023 | B195163 |
| Solubility | Miscible with dichloromethane. |
|---|---|
| Flash Point(°F) | 212°F |
| Flash Point(°C) | >100°C |
| Boil Point(°C) | 69-70°/70mm |
| Molecular Weight | 151.000 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 149.968 Da |
| Monoisotopic Mass | 149.968 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 60.600 |
| 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 |
