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.
| Canonical Smiles | CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(=O)OCC |
|---|---|
| IUPAC Name | ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate |
| InChIKey | LDFBGRFJCWKQCA-UHFFFAOYSA-N |
| INCHI | 1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3; |
| Isomeric SMILES | CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(=O)OCC |
| WGK Germany | 3 |
| Molecular Weight | 430.17 |
| Reaxy-Rn | 9578009 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9578009&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organometallic compounds |
| Class | Metal aryls |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Metal aryls |
| Alternative Parents | Isoxazoles Heteroaromatic compounds Trialkyltins Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Metal aryl - Azole - Isoxazole - Heteroaromatic compound - Carboxylic acid ester - Trialkyltin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organic salt - Organotin compound - Organooxygen compound - Organonitrogen compound - Organic post-transition metal moeity - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as metal aryls. These are organometallic compounds hat containing a metal atom substituted by on or more aryl groups. |
| External Descriptors | Not available |
| Refractive Index | 1.534 |
|---|---|
| Flash Point(°F) | 199.4 °F |
| Flash Point(°C) | 93 °C |
| Boil Point(°C) | >300 °C |
| Molecular Weight | 430.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 13 |
| Exact Mass | 431.148 Da |
| Monoisotopic Mass | 431.148 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| 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 |
