≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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.
| Canonical Smiles | CCCCCCCCCCCCCCC(=O)CBr |
|---|---|
| IUPAC Name | 1-bromohexadecan-2-one |
| InChIKey | ICZYLTOWIBJLIK-UHFFFAOYSA-N |
| INCHI | 1S/C16H31BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h2-15H2,1H3 |
| Isomeric SMILES | CCCCCCCCCCCCCCC(=O)CBr |
| Molecular Weight | 319.32 |
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 |
| Melt Point(°C) | 54-59℃ |
|---|---|
| Molecular Weight | 319.320 g/mol |
| XLogP3 | 7.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 14 |
| Exact Mass | 318.156 Da |
| Monoisotopic Mass | 318.156 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 180.000 |
| 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 |
