≥97% 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
Coupling partner in Suzuki-Miyuara C-C bond formations
| Canonical Smiles | CCOC(=O)C(P(=O)(OCC)OCC)(Br)Br |
|---|---|
| IUPAC Name | ethyl 2,2-dibromo-2-diethoxyphosphorylacetate |
| InChIKey | XKZDOIGWQFLTMZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H15Br2O5P/c1-4-13-7(11)8(9,10)16(12,14-5-2)15-6-3/h4-6H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C(P(=O)(OCC)OCC)(Br)Br |
| Molecular Weight | 381.98 |
| Reaxy-Rn | 2114232 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2114232&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic phosphonic acids and derivatives |
| Subclass | Phosphonic acid diesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dialkyl alkylphosphonates |
| Alternative Parents | Phosphonic acid esters Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organophosphorus compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dialkyl alkylphosphonate - Phosphonic acid ester - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organophosphorus compound - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group. |
| External Descriptors | Not available |
| Molecular Weight | 381.980 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 381.9 Da |
| Monoisotopic Mass | 379.902 Da |
| Topological Polar Surface Area | 61.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 272.000 |
| 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 |
