≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Description
ATRP for Everyone: Ligands and Initiators for the Clean Synthesis of Functional Polymers
| Canonical Smiles | CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)Br |
|---|---|
| IUPAC Name | octadecyl 2-bromo-2-methylpropanoate |
| InChIKey | RBOQJHMBYJZWJL-UHFFFAOYSA-N |
| INCHI | 1S/C22H43BrO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21(24)22(2,3)23/h4-20H2,1-3H3 |
| Isomeric SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C)Br |
| WGK Germany | 1 |
| Molecular Weight | 419.48 |
| Reaxy-Rn | 15492221 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15492221&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 acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acid derivatives |
| Alternative Parents | Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom. |
| External Descriptors | Not available |
| Flash Point(°F) | >230 °F |
|---|---|
| Flash Point(°C) | >110 °C |
| Molecular Weight | 419.500 g/mol |
| XLogP3 | 10.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 19 |
| Exact Mass | 418.245 Da |
| Monoisotopic Mass | 418.245 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| 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 |
