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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide - ≥98% , CAS No.5301-78-0
Synonyms
BRN 1951494 | BCP05526 | YASRHLDAFCMIPB-UHFFFAOYSA-N | DTXSID20201057 | 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide | 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide | Benzenesulfonamide,N-diethyl-4-methoxy- | (1-Oxo-2,6,7
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
BRN 1951494 | BCP05526 | YASRHLDAFCMIPB-UHFFFAOYSA-N | DTXSID20201057 | 2, 6, 7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide | 2, 6, 7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide | Benzenesulfonamide, N-diethyl-4-methoxy- | (1-Oxo-2, 6, 7
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488188599 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188599 Canonical Smiles C1C2(COP(=O)(O1)OC2)CO IUPAC Name (1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol InChIKey YASRHLDAFCMIPB-UHFFFAOYSA-N INCHI 1S/C5H9O5P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h6H,1-4H2 Isomeric SMILES C1C2(COP(=O)(O1)OC2)CO Molecular Weight 180.1 Reaxy-Rn 1951494 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1951494&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Class Organic phosphoric acids and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Organic phosphoric acids and derivatives Alternative Parents Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic heteropolycyclic compounds Substituents Organic phosphoric acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 211 °C Molecular Weight 180.100 g/mol XLogP3 -1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 180.019 Da Monoisotopic Mass 180.019 Da Topological Polar Surface Area 65.000 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 184.000 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
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