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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CCOP(=O)(CCCP(=O)(OCC)OCC)OCC |
|---|---|
| IUPAC Name | 1,3-bis(diethoxyphosphoryl)propane |
| InChIKey | LJQJJGQRJQSYQN-UHFFFAOYSA-N |
| INCHI | 1S/C11H26O6P2/c1-5-14-18(12,15-6-2)10-9-11-19(13,16-7-3)17-8-4/h5-11H2,1-4H3 |
| Isomeric SMILES | CCOP(=O)(CCCP(=O)(OCC)OCC)OCC |
| PubChem CID | 519945 |
| Molecular Weight | 316.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - 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 |
| Boil Point(°C) | 206-227 °C |
|---|---|
| Molecular Weight | 316.270 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 316.12 Da |
| Monoisotopic Mass | 316.12 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 270.000 |
| 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 |