≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,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 | C1CCNC(=O)C(C1)(Br)Br |
|---|---|
| IUPAC Name | 3,3-dibromoazepan-2-one |
| InChIKey | KJIRIIANVAJNNI-UHFFFAOYSA-N |
| INCHI | 1S/C6H9Br2NO/c7-6(8)3-1-2-4-9-5(6)10/h1-4H2,(H,9,10) |
| Isomeric SMILES | C1CCNC(=O)C(C1)(Br)Br |
| PubChem CID | 283271 |
| Molecular Weight | 270.96 |
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 | Organoheterocyclic compounds |
| Class | Lactams |
| Subclass | Caprolactams |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Caprolactams |
| Alternative Parents | Azepanes Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Caprolactam - Azepane - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH. |
| External Descriptors | Not available |
| Molecular Weight | 270.950 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 270.903 Da |
| Monoisotopic Mass | 268.905 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
